4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one

C17H24O2 — CID 116928623

IUPAC4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one
SMILESCOc1cc(C)c(CC2CCC(=O)CC2)c(C)c1C
InChIInChI=1S/C17H24O2/c1-11-9-17(19-4)13(3)12(2)16(11)10-14-5-7-15(18)8-6-14/h9,14H,5-8,10H2,1-4H3
InChIKeyKEIVVXWDFFXQHT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.92
Rot. Bonds3

About 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one

4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one (PubChem CID 116928623) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one
PubChem CID116928623
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one
SMILESCOc1cc(C)c(CC2CCC(=O)CC2)c(C)c1C
InChIInChI=1S/C17H24O2/c1-11-9-17(19-4)13(3)12(2)16(11)10-14-5-7-15(18)8-6-14/h9,14H,5-8,10H2,1-4H3
InChIKeyKEIVVXWDFFXQHT-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromo-4-methoxyphenyl)methyl]cyclohexan-1-one
CID 83262616
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
4-[(4-methoxy-N,3-dimethylanilino)methyl]cyclohexan-1-one
CID 115240070
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
3-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-one
CID 64505981
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one (CID 116928623) is 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one is COc1cc(C)c(CC2CCC(=O)CC2)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one?
The InChIKey is KEIVVXWDFFXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11-9-17(19-4)13(3)12(2)16(11)10-14-5-7-15(18)8-6-14/h9,14H,5-8,10H2,1-4H3.
What are the key properties of 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one?
4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 116928623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).