(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone

C17H24O4 — CID 106826594

IUPAC(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)c(OC)c1OC
InChIInChI=1S/C17H24O4/c1-17(10-6-5-7-11-17)16(18)12-8-9-13(19-2)15(21-4)14(12)20-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyWXDJTHKPCWWSRO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.87
Rot. Bonds5

About (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone

(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 106826594) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID106826594
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)c(OC)c1OC
InChIInChI=1S/C17H24O4/c1-17(10-6-5-7-11-17)16(18)12-8-9-13(19-2)15(21-4)14(12)20-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyWXDJTHKPCWWSRO-UHFFFAOYSA-N
XLogP3.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 103524264
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422597
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone (CID 106826594) is (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)C2(C)CCCCC2)c(OC)c1OC.
What is the InChIKey of (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is WXDJTHKPCWWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-17(10-6-5-7-11-17)16(18)12-8-9-13(19-2)15(21-4)14(12)20-3/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone?
(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 106826594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).