ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate

C16H21ClO3 — CID 148697514

IUPACethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
SMILESCCOC(=O)CC(OC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H21ClO3/c1-2-19-16(18)11-15(20-14-8-3-4-9-14)12-6-5-7-13(17)10-12/h5-7,10,14-15H,2-4,8-9,11H2,1H3
InChIKeyYIPXYHNRFDRXMU-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.29
Rot. Bonds6

About ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate

ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate (PubChem CID 148697514) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
PubChem CID148697514
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Nameethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
SMILESCCOC(=O)CC(OC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H21ClO3/c1-2-19-16(18)11-15(20-14-8-3-4-9-14)12-6-5-7-13(17)10-12/h5-7,10,14-15H,2-4,8-9,11H2,1H3
InChIKeyYIPXYHNRFDRXMU-UHFFFAOYSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592
ethyl 4-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate
CID 54498618
methyl (3R)-3-acetyloxy-3-(3-chlorophenyl)propanoate
CID 102599434
ethyl 3-(3-chlorophenyl)-3-(4-fluoropiperidin-4-yl)propanoate
CID 176947589
ethyl 3-(2-aminooxypropanoylamino)-3-(3-chlorophenyl)propanoate
CID 167929050
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
ethyl N-[(R)-(3-chlorophenyl)-[(1R)-2-oxocycloheptyl]methyl]carbamate
CID 1481391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate?
The IUPAC name of ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate (CID 148697514) is ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate.
What is the SMILES notation for ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate?
The canonical SMILES for ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate is CCOC(=O)CC(OC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate?
The InChIKey is YIPXYHNRFDRXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-2-19-16(18)11-15(20-14-8-3-4-9-14)12-6-5-7-13(17)10-12/h5-7,10,14-15H,2-4,8-9,11H2,1H3.
What are the key properties of ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate?
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate has a molecular weight of 296.79 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate is sourced from PubChem (CID 148697514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).