2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one

C14H16O3 — CID 14381769

IUPAC2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CC2CCCC2=O)cc1
InChIInChI=1S/C14H16O3/c1-17-12-7-5-10(6-8-12)14(16)9-11-3-2-4-13(11)15/h5-8,11H,2-4,9H2,1H3
InChIKeyMRWGVBNUJXJEJJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one

2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one (PubChem CID 14381769) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
PubChem CID14381769
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CC2CCCC2=O)cc1
InChIInChI=1S/C14H16O3/c1-17-12-7-5-10(6-8-12)14(16)9-11-3-2-4-13(11)15/h5-8,11H,2-4,9H2,1H3
InChIKeyMRWGVBNUJXJEJJ-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
CID 101166633
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]cyclohexan-1-one
CID 57046884
2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one
CID 79566016
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
1-(4-methoxyphenyl)-2-[2-(4-nitrobenzoyl)cyclohex-2-en-1-yl]ethanone
CID 101166639
2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
CID 24807933
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one (CID 14381769) is 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one is COc1ccc(C(=O)CC2CCCC2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one?
The InChIKey is MRWGVBNUJXJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-12-7-5-10(6-8-12)14(16)9-11-3-2-4-13(11)15/h5-8,11H,2-4,9H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one?
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one is sourced from PubChem (CID 14381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).