3-(3,5-dimethoxybenzoyl)cyclopentan-1-one

C14H16O4 — CID 79638515

IUPAC3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
SMILESCOc1cc(OC)cc(C(=O)C2CCC(=O)C2)c1
InChIInChI=1S/C14H16O4/c1-17-12-6-10(7-13(8-12)18-2)14(16)9-3-4-11(15)5-9/h6-9H,3-5H2,1-2H3
InChIKeyXODFCMASZMYKFB-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.26
Rot. Bonds4

About 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one

3-(3,5-dimethoxybenzoyl)cyclopentan-1-one (PubChem CID 79638515) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
PubChem CID79638515
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
SMILESCOc1cc(OC)cc(C(=O)C2CCC(=O)C2)c1
InChIInChI=1S/C14H16O4/c1-17-12-6-10(7-13(8-12)18-2)14(16)9-3-4-11(15)5-9/h6-9H,3-5H2,1-2H3
InChIKeyXODFCMASZMYKFB-UHFFFAOYSA-N
XLogP2.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one
CID 114454004
3-(3,5-dichlorobenzoyl)cyclohexan-1-one
CID 79626074
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanone
CID 103344886
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-oxocyclopentane-1-carboxylic acid
CID 175785263
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
CID 116573137
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
CID 115785456

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one (CID 79638515) is 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one is COc1cc(OC)cc(C(=O)C2CCC(=O)C2)c1.
What is the InChIKey of 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one?
The InChIKey is XODFCMASZMYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-12-6-10(7-13(8-12)18-2)14(16)9-3-4-11(15)5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one?
3-(3,5-dimethoxybenzoyl)cyclopentan-1-one has a molecular weight of 248.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxybenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79638515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).