2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid

C15H18O3 — CID 22970314

IUPAC2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESO=C(O)CC1C2CCC(C2)C1(O)c1ccccc1
InChIInChI=1S/C15H18O3/c16-14(17)9-13-10-6-7-12(8-10)15(13,18)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,17)
InChIKeyHIYDIQQFTDAPCQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid

2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 22970314) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID22970314
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESO=C(O)CC1C2CCC(C2)C1(O)c1ccccc1
InChIInChI=1S/C15H18O3/c16-14(17)9-13-10-6-7-12(8-10)15(13,18)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,17)
InChIKeyHIYDIQQFTDAPCQ-UHFFFAOYSA-N
XLogP2.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
(2-Hydroxybicyclo(2.2.1)heptan-2-yl)(phenyl)acetic acid
CID 32252
Benzoic acid, (p-(2-norbornanylemethyl))-
CID 37848
trans-(1R,3S)-3-hydroxy-3-(4-phenylphenyl)cyclopentane-1-carboxylic acid
CID 137661543
2-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 44151790
2-Phenylbicyclo[2.2.1]heptan-2-ol
CID 417191
3-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 233467
trans-(1R,3S)-3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
CID 99996059
2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 14915549
3-Hydroxy-3-phenylcyclopentane-1-carboxylic acid
CID 102568744
1-Hydroxy-2-indanacetic acid
CID 12502349
9-Hydroxy-9-carboxymethylfluorene
CID 12570464

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid (CID 22970314) is 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid is O=C(O)CC1C2CCC(C2)C1(O)c1ccccc1.
What is the InChIKey of 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is HIYDIQQFTDAPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14(17)9-13-10-6-7-12(8-10)15(13,18)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,17).
What are the key properties of 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-phenyl-2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 22970314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).