5281575
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6
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6
6
6
1
1
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6
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2
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255
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8.9282
2.866
8.9282
10.6603
5.4641
6.3301
8.0622
4.5981
5.4641
7.1962
3.732
3.732
4.5981
8.0622
8.9282
9.7942
9.7942
2
9.7942
6.3301
4.5981
6.001
7.1962
3.1951
4.5981
7.5252
10.3312
2.31
1.4631
1.69
10.1042
10.3312
9.4842
-1
-2.5
2
-1
-1
-0.5
-0.5
-0.5
-2
-1
-2
-1
-2.5
0.5
1
0.5
-0.5
-2
2.5
0.12
0.12
-2.31
-1.62
-0.69
-3.12
0.81
0.81
-1.4631
-1.69
-2.5369
1.9631
2.81
3.0369
8
8
8
8
8
8
8
8
8
8
8
8
1
1
5
5
7
8
9
11
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7
17
8
9
14
12
13
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13
15
16
17
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
412
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0703800000000000000000000000000000000000000304000000000000000010000001A00000000000C04809802320E80000400880220D208000208002020000888000608C80C262284311A82302024C01108A90780C0000E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-(4-methoxyphenyl)vinyl]pyran-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyranone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-6-[(E)-2-(4-methoxyphenyl)vinyl]pyran-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XLHIYUYCSMZCCC-VMPITWQZSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
258.089209
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H14O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
258.26926
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
44.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
258.089209
19
0
0
0
1
1
0
0
1
1