ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate

C18H26O3 — CID 146603550

IUPACethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
SMILESCCOC(=O)CC1CCC(O)C1CCCc1ccccc1
InChIInChI=1S/C18H26O3/c1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3
InChIKeyAYKUVCNJEOCDSB-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.35
Rot. Bonds7

About ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate

ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate (PubChem CID 146603550) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
PubChem CID146603550
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Nameethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
SMILESCCOC(=O)CC1CCC(O)C1CCCc1ccccc1
InChIInChI=1S/C18H26O3/c1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3
InChIKeyAYKUVCNJEOCDSB-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate
CID 146603555
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
ethyl 2-[5-(2-phenylethyl)-3,4-dihydro-2H-pyrrol-2-yl]acetate
CID 15877077
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
tetrakis(ethyl 2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetate);tetrakis(2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetic acid)
CID 159686350
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
ethyl 2-(3-phenylpropanoylsulfanyl)acetate
CID 175502807
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
CID 142078244
ethyl 2-[(2R,3R)-1-benzyl-2-tert-butylpyrrolidin-3-yl]acetate
CID 146168791
ethyl 3-phenylpropanoate;propanal
CID 90891703
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate (CID 146603550) is ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate is CCOC(=O)CC1CCC(O)C1CCCc1ccccc1.
What is the InChIKey of ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate?
The InChIKey is AYKUVCNJEOCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-21-18(20)13-15-11-12-17(19)16(15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate?
ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate has a molecular weight of 290.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate is sourced from PubChem (CID 146603550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).