ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate

C15H20O3 — CID 20792284

IUPACethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
SMILESCCOC(=O)CC1CCCC1c1ccc(O)cc1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)10-12-4-3-5-14(12)11-6-8-13(16)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyCHNORYKJXZUNOR-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate

ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate (PubChem CID 20792284) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
PubChem CID20792284
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
SMILESCCOC(=O)CC1CCCC1c1ccc(O)cc1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)10-12-4-3-5-14(12)11-6-8-13(16)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyCHNORYKJXZUNOR-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[2-(4-methylsulfonylphenyl)cyclohexyl]acetate
CID 121319855
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
CID 71323182
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 58566544
ethyl 2-[4-amino-3-(4-chlorophenyl)cyclohexyl]acetate
CID 67129632
ethyl (2S)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylate;hydrobromide
CID 69351683
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
tetrakis(ethyl 2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetate);tetrakis(2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetic acid)
CID 159686350
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate (CID 20792284) is ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate is CCOC(=O)CC1CCCC1c1ccc(O)cc1.
What is the InChIKey of ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate?
The InChIKey is CHNORYKJXZUNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-15(17)10-12-4-3-5-14(12)11-6-8-13(16)9-7-11/h6-9,12,14,16H,2-5,10H2,1H3.
What are the key properties of ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate?
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate has a molecular weight of 248.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate is sourced from PubChem (CID 20792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).