(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C17H24O2 — CID 106681952

IUPAC(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCCC1(C(=O)c2c(C)cc(C)cc2OC)CCCC1
InChIInChI=1S/C17H24O2/c1-5-17(8-6-7-9-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11H,5-9H2,1-4H3
InChIKeyKXMBFGLRANFJEX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.47
Rot. Bonds4

About (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681952) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681952
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCCC1(C(=O)c2c(C)cc(C)cc2OC)CCCC1
InChIInChI=1S/C17H24O2/c1-5-17(8-6-7-9-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11H,5-9H2,1-4H3
InChIKeyKXMBFGLRANFJEX-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
1-(2-methoxy-4,6-dimethylbenzoyl)cyclobutane-1-carbonitrile
CID 116921550
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183748
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681952) is (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone is CCC1(C(=O)c2c(C)cc(C)cc2OC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is KXMBFGLRANFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-17(8-6-7-9-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11H,5-9H2,1-4H3.
What are the key properties of (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).