7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C22H22O5 — CID 131883073

IUPAC7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C2CCC1C2(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O5/c23-20(24)17-15-11-12-16(18(17)21(25)26)22(15,27)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,27H,11-12H2,(H,23,24)(H,25,26)
InChIKeyJZZQUYLCDAOQRK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.99
Rot. Bonds5

About 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid

7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 131883073) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID131883073
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)C1C(C(=O)O)C2CCC1C2(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O5/c23-20(24)17-15-11-12-16(18(17)21(25)26)22(15,27)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,27H,11-12H2,(H,23,24)(H,25,26)
InChIKeyJZZQUYLCDAOQRK-UHFFFAOYSA-N
XLogP2.99
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3S)-3-hydroxy-3-(4-phenylphenyl)cyclopentane-1-carboxylic acid
CID 137661543
2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 147936492
2-[(2S,5S,7S)-2-(4-fluorophenyl)-5,7-dihydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 148621895
methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate
CID 134947668
7-Benzhydrylidene-3-ethoxycarbonyl-norbornane-2-carboxylic acid
CID 257692
5-Phenylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 12553359
7-Benzhydrylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 20215095
2-(3-Hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid
CID 22970314
2-Methyl-3-[3-(2-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]butanedioic acid
CID 59102892
2-Methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[3-(2-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]butanoic acid
CID 59102900
(2R,3S,5R)-5-phenylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 59164805
4-(1-Cyclopentylcyclopentyl)oxy-3-(9,10-dihydroanthracen-9-yl)-4-oxobutanoic acid
CID 68612938

Frequently Asked Questions

What is the IUPAC name of 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 131883073) is 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid is O=C(O)C1C(C(=O)O)C2CCC1C2(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is JZZQUYLCDAOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c23-20(24)17-15-11-12-16(18(17)21(25)26)22(15,27)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,27H,11-12H2,(H,23,24)(H,25,26).
What are the key properties of 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 366.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydryl-7-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 131883073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).