2-(2-cyclopentylphenyl)-2-hydroxyacetic acid

C13H16O3 — CID 66679588

IUPAC2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H16O3/c14-12(13(15)16)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12,14H,1-2,5-6H2,(H,15,16)
InChIKeyRIHBEQBDUMWHJB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid

2-(2-cyclopentylphenyl)-2-hydroxyacetic acid (PubChem CID 66679588) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
PubChem CID66679588
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1C1CCCC1
InChIInChI=1S/C13H16O3/c14-12(13(15)16)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12,14H,1-2,5-6H2,(H,15,16)
InChIKeyRIHBEQBDUMWHJB-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
1-(2-cyclohexylphenyl)-1-hydroxypropan-2-one
CID 174983482
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
CID 173057877
(1,1-dimethylpyrrolidin-1-ium-2-yl) 2-(2-cyclopentylphenyl)-2-hydroxyacetate
CID 142745525
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
CID 79982392
2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377760
2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
CID 117349355
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
ethyl 2-hydroxy-2-[2-(1-methylazepan-4-yl)phenyl]acetate
CID 117470740
2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid (CID 66679588) is 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccccc1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid?
The InChIKey is RIHBEQBDUMWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-12(13(15)16)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-(2-cyclopentylphenyl)-2-hydroxyacetic acid?
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid has a molecular weight of 220.27 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-(2-cyclopentylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 66679588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).