[1-(3-hydroxyphenyl)cyclopentyl] acetate

C13H16O3 — CID 169012987

IUPAC[1-(3-hydroxyphenyl)cyclopentyl] acetate
SMILESCC(=O)OC1(c2cccc(O)c2)CCCC1
InChIInChI=1S/C13H16O3/c1-10(14)16-13(7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyNUOASHZKLBHQPT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.72
Rot. Bonds2

About [1-(3-hydroxyphenyl)cyclopentyl] acetate

[1-(3-hydroxyphenyl)cyclopentyl] acetate (PubChem CID 169012987) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)cyclopentyl] acetate
PubChem CID169012987
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[1-(3-hydroxyphenyl)cyclopentyl] acetate
SMILESCC(=O)OC1(c2cccc(O)c2)CCCC1
InChIInChI=1S/C13H16O3/c1-10(14)16-13(7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyNUOASHZKLBHQPT-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-hydroxyphenyl)cyclopentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-phenylcyclopropyl) acetate
CID 121216912
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
3-[1-(propan-2-ylamino)cyclohexyl]phenol
CID 70506241
[1-[4-(hydroxymethyl)-3-methoxyphenyl]cyclobutyl] acetate
CID 165370679
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
3-(1-methoxycyclopentyl)benzoic acid
CID 115031955
2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
CID 117258805
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(1-aminocyclopropyl)phenol
CID 55296554
3-(1-methoxycyclobutyl)benzoic acid
CID 67062832
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131320664

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)cyclopentyl] acetate?
The IUPAC name of [1-(3-hydroxyphenyl)cyclopentyl] acetate (CID 169012987) is [1-(3-hydroxyphenyl)cyclopentyl] acetate.
What is the SMILES notation for [1-(3-hydroxyphenyl)cyclopentyl] acetate?
The canonical SMILES for [1-(3-hydroxyphenyl)cyclopentyl] acetate is CC(=O)OC1(c2cccc(O)c2)CCCC1.
What is the InChIKey of [1-(3-hydroxyphenyl)cyclopentyl] acetate?
The InChIKey is NUOASHZKLBHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(14)16-13(7-2-3-8-13)11-5-4-6-12(15)9-11/h4-6,9,15H,2-3,7-8H2,1H3.
What are the key properties of [1-(3-hydroxyphenyl)cyclopentyl] acetate?
[1-(3-hydroxyphenyl)cyclopentyl] acetate has a molecular weight of 220.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)cyclopentyl] acetate is sourced from PubChem (CID 169012987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).