2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid

C14H18O3 — CID 114392534

IUPAC2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(O)c2ccccc2)C1
InChIInChI=1S/C14H18O3/c1-9-7-11(12(8-9)14(16)17)13(15)10-5-3-2-4-6-10/h2-6,9,11-13,15H,7-8H2,1H3,(H,16,17)
InChIKeyXYVWRMQKPWIWJC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds3

About 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid

2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114392534) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114392534
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(O)c2ccccc2)C1
InChIInChI=1S/C14H18O3/c1-9-7-11(12(8-9)14(16)17)13(15)10-5-3-2-4-6-10/h2-6,9,11-13,15H,7-8H2,1H3,(H,16,17)
InChIKeyXYVWRMQKPWIWJC-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
2-[hydroxy-(4-propan-2-yloxyphenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392545
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 100973323
(R)-phenyl-[(1S,2R)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 15855453
2-[(3-bromothiophen-2-yl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392585
2-[(4-bromo-2,5-dimethylphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392572
4-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 114512775
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid (CID 114392534) is 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(O)c2ccccc2)C1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is XYVWRMQKPWIWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-7-11(12(8-9)14(16)17)13(15)10-5-3-2-4-6-10/h2-6,9,11-13,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid?
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).