731345
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255
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4.5981
6.3301
9.8602
6.3301
2.866
2.866
3.732
2
3.732
2
3.732
7.1962
5.4641
2
7.1962
6.3301
2.866
8.0901
5.4641
8.0901
8.9962
8.9962
10.7282
2.866
1.69
3.422
4.269
4.042
1.4631
2.31
1.4631
4.269
1.4631
2.866
8.0829
4.9272
8.0829
9.5319
10.4203
11.2663
11.0361
-0.2673
1.7327
1.7568
-1.2673
-1.2673
-0.2673
0.2327
-1.7673
-1.7673
0.2327
1.2327
0.2327
0.2327
1.2327
1.2327
-0.2673
1.7327
-0.302
1.2327
1.7673
1.2535
0.2119
1.2602
-1.8873
-1.2304
-2.3043
-2.0773
-1.2304
-2.0773
-2.3043
-0.0773
1.5427
1.5427
2.3527
-0.922
1.5427
2.3873
-0.1002
0.722
0.9522
1.7983
8
8
8
8
8
8
8
8
8
8
8
8
8
8
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8
8
2
2
6
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
456
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E0783800000000000000000000000000000000000000306080000000000000814000001A00000000000D04A098023206800004008802A05200020208002420000888014608C80C273684351E823960A5E01508A987C8ECECCEA0000008000800004000001000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-isopropylphenoxy)-7-methoxy-chromen-4-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
7-methoxy-3-(2-propan-2-ylphenoxy)-1-benzopyran-4-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
7-methoxy-3-(2-propan-2-ylphenoxy)chromen-4-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
7-methoxy-3-(2-propan-2-ylphenoxy)chromen-4-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
3-(2-isopropylphenoxy)-7-methoxy-chromone
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C19H18O4/c1-12(2)14-6-4-5-7-16(14)23-18-11-22-17-10-13(21-3)8-9-15(17)19(18)20/h4-12H,1-3H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
HFIZDMIDXCTDBU-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
310.120509
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C19H18O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
310.34382
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
44.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
310.120509
23
0
0
0
0
0
0
0
1
1