1-(3-cyclopentyl-4-methoxyphenyl)ethanone

C14H18O2 — CID 84683848

IUPAC1-(3-cyclopentyl-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1C1CCCC1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-14(16-2)13(9-12)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyHFFGWYYWMQNFEY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.56
Rot. Bonds3

About 1-(3-cyclopentyl-4-methoxyphenyl)ethanone

1-(3-cyclopentyl-4-methoxyphenyl)ethanone (PubChem CID 84683848) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-cyclopentyl-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopentyl-4-methoxyphenyl)ethanone
PubChem CID84683848
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(3-cyclopentyl-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1C1CCCC1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-14(16-2)13(9-12)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyHFFGWYYWMQNFEY-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
CID 53423517
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
1-[4-[(1S,2R)-2-hydroxycyclohexyl]sulfanyl-3-methoxyphenyl]ethanone
CID 97160682
1-[4-(2-hydroxycyclohexyl)sulfanyl-3-methoxyphenyl]ethanone
CID 75439582
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
2-cyclohexyl-4-isocyanato-1-methoxybenzene
CID 83918542
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117467617

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-cyclopentyl-4-methoxyphenyl)ethanone (CID 84683848) is 1-(3-cyclopentyl-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclopentyl-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-cyclopentyl-4-methoxyphenyl)ethanone is COc1ccc(C(C)=O)cc1C1CCCC1.
What is the InChIKey of 1-(3-cyclopentyl-4-methoxyphenyl)ethanone?
The InChIKey is HFFGWYYWMQNFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(15)12-7-8-14(16-2)13(9-12)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-(3-cyclopentyl-4-methoxyphenyl)ethanone?
1-(3-cyclopentyl-4-methoxyphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-4-methoxyphenyl)ethanone is sourced from PubChem (CID 84683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).