ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate

C16H22O4 — CID 146603555

IUPACethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate
SMILESCCOC(=O)CC1CCC(O)C1C(O)c1ccccc1
InChIInChI=1S/C16H22O4/c1-2-20-14(18)10-12-8-9-13(17)15(12)16(19)11-6-4-3-5-7-11/h3-7,12-13,15-17,19H,2,8-10H2,1H3
InChIKeyQVYNUWVWYHUHQH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds5

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

ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate (PubChem CID 146603555) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate
PubChem CID146603555
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate
SMILESCCOC(=O)CC1CCC(O)C1C(O)c1ccccc1
InChIInChI=1S/C16H22O4/c1-2-20-14(18)10-12-8-9-13(17)15(12)16(19)11-6-4-3-5-7-11/h3-7,12-13,15-17,19H,2,8-10H2,1H3
InChIKeyQVYNUWVWYHUHQH-UHFFFAOYSA-N
XLogP2.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
CID 146603550
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
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
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
CID 134303215
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate (CID 146603555) is ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate is CCOC(=O)CC1CCC(O)C1C(O)c1ccccc1.
What is the InChIKey of ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate?
The InChIKey is QVYNUWVWYHUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-2-20-14(18)10-12-8-9-13(17)15(12)16(19)11-6-4-3-5-7-11/h3-7,12-13,15-17,19H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate?
ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate is sourced from PubChem (CID 146603555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).