69318487
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33
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255
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6.8671
8.5991
2.5369
3.403
6.8671
6.001
7.7331
7.7331
8.5991
7.7331
9.4651
6.001
6.8671
7.7331
5.135
9.4651
6.8671
8.5991
6.8671
8.5991
7.7331
4.269
3.403
8.27
7.9885
8.3871
7.9451
8.3437
10.0757
9.6772
5.4641
6.8671
5.135
8.8451
9.4651
10.0851
6.3301
9.136
6.3301
9.136
7.7331
4.269
2
1
-2
-0.5
1
0
-0.5
-1.5
-0.5
-3
1.5
-3.5
-1.5
-2
2.5
0
-4.5
3
3
4
4
4.5
-0.5
0
-0.19
-2.8923
-3.5826
0.9174
1.6077
-3.6077
-2.9174
-1.81
-2.62
0.62
-4.5
-5.12
-4.5
2.69
2.69
4.31
4.31
5.12
-1.12
-0.19
8
8
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1
8
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8
8
5
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
374
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E0783800000000000000000000000000000000000000306000000000000000014000001A00000800000C04A09802320E80000600880220D208000208002020000888000608C80C272284311A823820A5C01508B98780E02C0E20000008000800004000001000100000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-benzyloxy-4-propoxy-phenyl)prop-2-enoic acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-phenylmethoxy-4-propoxyphenyl)-2-propenoic acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoic acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-phenylmethoxy-4-propoxy-phenyl)prop-2-enoic acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-benzoxy-4-propoxy-phenyl)acrylic acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H20O4/c1-2-12-22-17-10-8-16(9-11-19(20)21)18(13-17)23-14-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,20,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MXWSVTIFYCKBFP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
312.136159
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H20O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
312.3597
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCOC1=CC(=C(C=C1)C=CC(=O)O)OCC2=CC=CC=C2
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCOC1=CC(=C(C=C1)C=CC(=O)O)OCC2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
55.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
312.136159
23
0
0
0
1
0
1
0
1
1