4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid

C14H18O3 — CID 115040165

IUPAC4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
SMILESCC(O)(c1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C14H18O3/c1-14(17,11-4-2-3-5-11)12-8-6-10(7-9-12)13(15)16/h6-9,11,17H,2-5H2,1H3,(H,15,16)
InChIKeyAUEVIVDHTROIPA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.78
Rot. Bonds3

About 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid

4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid (PubChem CID 115040165) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid.

Molecular Properties

Compound Name4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
PubChem CID115040165
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
SMILESCC(O)(c1ccc(C(=O)O)cc1)C1CCCC1
InChIInChI=1S/C14H18O3/c1-14(17,11-4-2-3-5-11)12-8-6-10(7-9-12)13(15)16/h6-9,11,17H,2-5H2,1H3,(H,15,16)
InChIKeyAUEVIVDHTROIPA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
4-(1-cyclohexyl-1-hydroxyethyl)phenol
CID 83075432
1-(4-bromophenyl)-1-cycloheptylethanol
CID 82928373
4-[cyclobutyl(difluoro)methyl]benzoic acid
CID 69437237
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
4-(1-amino-1-hydroxyethyl)benzoic acid
CID 118177730
1-cyclohexyl-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 114194209
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
4-[4-(4-carboxyphenyl)-3,4-dimethylhexan-3-yl]benzoic acid
CID 21419765

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid?
The IUPAC name of 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid (CID 115040165) is 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid.
What is the SMILES notation for 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid?
The canonical SMILES for 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid is CC(O)(c1ccc(C(=O)O)cc1)C1CCCC1.
What is the InChIKey of 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid?
The InChIKey is AUEVIVDHTROIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(17,11-4-2-3-5-11)12-8-6-10(7-9-12)13(15)16/h6-9,11,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid?
4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid is sourced from PubChem (CID 115040165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).