(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone

C17H24O4 — CID 116748454

IUPAC(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(OC)ccc2OC)CCCCC1
InChIInChI=1S/C17H24O4/c1-4-21-17(10-6-5-7-11-17)16(18)14-12-13(19-2)8-9-15(14)20-3/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyLETFFRGFZOVJNA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds6

About (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone

(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone (PubChem CID 116748454) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
PubChem CID116748454
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cc(OC)ccc2OC)CCCCC1
InChIInChI=1S/C17H24O4/c1-4-21-17(10-6-5-7-11-17)16(18)14-12-13(19-2)8-9-15(14)20-3/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyLETFFRGFZOVJNA-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone (CID 116748454) is (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone is CCOC1(C(=O)c2cc(OC)ccc2OC)CCCCC1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The InChIKey is LETFFRGFZOVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-21-17(10-6-5-7-11-17)16(18)14-12-13(19-2)8-9-15(14)20-3/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone is sourced from PubChem (CID 116748454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).