2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid

C14H18O3 — CID 56924194

IUPAC2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(O)(C(=O)O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-10-6-2-5-9-12(10)14(17,13(15)16)11-7-3-4-8-11/h2,5-6,9,11,17H,3-4,7-8H2,1H3,(H,15,16)
InChIKeyAZEQZINHKQBDLW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.46
Rot. Bonds3

About 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid

2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid (PubChem CID 56924194) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
PubChem CID56924194
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(O)(C(=O)O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-10-6-2-5-9-12(10)14(17,13(15)16)11-7-3-4-8-11/h2,5-6,9,11,17H,3-4,7-8H2,1H3,(H,15,16)
InChIKeyAZEQZINHKQBDLW-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
CID 67469384
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
CID 18922125
1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
CID 123725623
2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetic acid
CID 18922058
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid
CID 114997949
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid (CID 56924194) is 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(O)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The InChIKey is AZEQZINHKQBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-6-2-5-9-12(10)14(17,13(15)16)11-7-3-4-8-11/h2,5-6,9,11,17H,3-4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 56924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).