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

C17H24O4 — CID 116810109

IUPAC(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2c(OC)cccc2OC)CCCCC1
InChIInChI=1S/C17H24O4/c1-4-21-17(11-6-5-7-12-17)16(18)15-13(19-2)9-8-10-14(15)20-3/h8-10H,4-7,11-12H2,1-3H3
InChIKeyFEVJTMOIZRWBSC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds6

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

(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone (PubChem CID 116810109) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
PubChem CID116810109
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2c(OC)cccc2OC)CCCCC1
InChIInChI=1S/C17H24O4/c1-4-21-17(11-6-5-7-12-17)16(18)15-13(19-2)9-8-10-14(15)20-3/h8-10H,4-7,11-12H2,1-3H3
InChIKeyFEVJTMOIZRWBSC-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

(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone (CID 116810109) is (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone is CCOC1(C(=O)c2c(OC)cccc2OC)CCCCC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
The InChIKey is FEVJTMOIZRWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-21-17(11-6-5-7-12-17)16(18)15-13(19-2)9-8-10-14(15)20-3/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone?
(2,6-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 (2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone is sourced from PubChem (CID 116810109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).