(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone

C16H22O3 — CID 115813399

IUPAC(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C16H22O3/c1-4-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyWKGQECMBEJODLH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.86
Rot. Bonds5

About (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone

(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone (PubChem CID 115813399) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
PubChem CID115813399
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)c2c(OC)cccc2OC)CCCC1
InChIInChI=1S/C16H22O3/c1-4-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyWKGQECMBEJODLH-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681952
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
CID 173194926
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
3-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 63131997

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone (CID 115813399) is (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone is CCC1(C(=O)c2c(OC)cccc2OC)CCCC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone?
The InChIKey is WKGQECMBEJODLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-16(10-5-6-11-16)15(17)14-12(18-2)8-7-9-13(14)19-3/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone?
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 115813399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).