4191964
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46
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5
255
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6.3301
4.5981
6.3301
5.4641
4.5981
6.3301
3.732
7.1962
4.5981
6.3301
5.4641
5.4641
3.732
2.866
8.0622
7.1962
2.866
2
8.9282
8.0622
2
8.9282
6.3301
7.1962
5.4641
7.1962
5.4641
6.3301
4.0611
6.8671
5.4641
4.269
2.866
8.0622
6.6592
2.866
1.4631
9.4651
8.0622
1.4631
9.4651
7.7331
4.9272
7.7331
4.9272
6.8671
-0.405
-0.405
3.595
-1.905
-2.405
-2.405
-1.905
-1.905
-3.405
-3.405
-3.905
-0.905
-0.905
-2.405
-2.405
-0.905
-0.405
-1.905
-1.905
-0.405
-0.905
-0.905
0.595
1.095
1.095
2.095
2.095
2.595
-3.715
-3.715
-4.525
-0.595
-3.025
-3.025
-0.595
0.215
-2.215
-2.215
0.215
-0.595
-0.595
0.785
0.785
2.405
2.405
3.905
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
458
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07830000000000000000000000000000000000000003060C1800000000000015400001A00000800000C04809800300E80000600880220D208000208002420000888010608C80C263286351A827B20A4C01108B907C8C8E08E81000200001000000200040000200000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-hydroxyphenyl) 2,6-diphenylbenzoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,6-diphenylbenzoic acid (4-hydroxyphenyl) ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-hydroxyphenyl) 2,6-diphenylbenzoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(4-hydroxyphenyl) 2,6-diphenylbenzoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,6-diphenylbenzoic acid (4-hydroxyphenyl) ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H18O3/c26-20-14-16-21(17-15-20)28-25(27)24-22(18-8-3-1-4-9-18)12-7-13-23(24)19-10-5-2-6-11-19/h1-17,26H
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FCCOWKPKFYNHNW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
6.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.125594
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H18O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.40862
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
46.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
366.125594
28
0
0
0
0
0
0
0
1
2