1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one

C16H22O2 — CID 39349318

IUPAC1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22O2/c1-12-9-13(2)11-15(10-12)18-8-7-16(17)14-5-3-4-6-14/h9-11,14H,3-8H2,1-2H3
InChIKeyWELAKOIFSDNMJO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.83
Rot. Bonds5

About 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one

1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one (PubChem CID 39349318) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
PubChem CID39349318
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)C2CCCC2)c1
InChIInChI=1S/C16H22O2/c1-12-9-13(2)11-15(10-12)18-8-7-16(17)14-5-3-4-6-14/h9-11,14H,3-8H2,1-2H3
InChIKeyWELAKOIFSDNMJO-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 134060467
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
CID 39359938
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 56530010
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
CID 39375404
2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
CID 61010857
(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one?
The IUPAC name of 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one (CID 39349318) is 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one?
The canonical SMILES for 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one is Cc1cc(C)cc(OCCC(=O)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one?
The InChIKey is WELAKOIFSDNMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-9-13(2)11-15(10-12)18-8-7-16(17)14-5-3-4-6-14/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one?
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one is sourced from PubChem (CID 39349318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).