1-(2-cyclopentyloxy-3-methylphenyl)ethanone

C14H18O2 — CID 82079338

IUPAC1-(2-cyclopentyloxy-3-methylphenyl)ethanone
SMILESCC(=O)c1cccc(C)c1OC1CCCC1
InChIInChI=1S/C14H18O2/c1-10-6-5-9-13(11(2)15)14(10)16-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyPGAJUOBPXSUPOO-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-cyclopentyloxy-3-methylphenyl)ethanone

1-(2-cyclopentyloxy-3-methylphenyl)ethanone (PubChem CID 82079338) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-cyclopentyloxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopentyloxy-3-methylphenyl)ethanone
PubChem CID82079338
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2-cyclopentyloxy-3-methylphenyl)ethanone
SMILESCC(=O)c1cccc(C)c1OC1CCCC1
InChIInChI=1S/C14H18O2/c1-10-6-5-9-13(11(2)15)14(10)16-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyPGAJUOBPXSUPOO-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
3-methyl-2-(oxolan-3-yloxy)benzoic acid
CID 112689928
cyclopentyl 2,6-dimethylbenzenecarboperoxoate
CID 173265603
3-amino-2-cyclopentyloxybenzamide
CID 112579558
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-amino-1-(2-cyclopentyloxy-3,4-dimethylphenyl)ethanone
CID 117371020
1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 68736790
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160667
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
CID 59314361
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(2-cyclopentyloxy-3-methylphenyl)ethanone (CID 82079338) is 1-(2-cyclopentyloxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-cyclopentyloxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-cyclopentyloxy-3-methylphenyl)ethanone is CC(=O)c1cccc(C)c1OC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxy-3-methylphenyl)ethanone?
The InChIKey is PGAJUOBPXSUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-6-5-9-13(11(2)15)14(10)16-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-cyclopentyloxy-3-methylphenyl)ethanone?
1-(2-cyclopentyloxy-3-methylphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxy-3-methylphenyl)ethanone is sourced from PubChem (CID 82079338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).