4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one

C15H16O2 — CID 134874926

IUPAC4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccc(C)cc2)C=CC(=O)C(C)=C1
InChIInChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)12(2)10-15/h4-10H,1-3H3
InChIKeyGJRUUURXPZBVIV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.92
Rot. Bonds2

About 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one

4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one (PubChem CID 134874926) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
PubChem CID134874926
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccc(C)cc2)C=CC(=O)C(C)=C1
InChIInChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)12(2)10-15/h4-10H,1-3H3
InChIKeyGJRUUURXPZBVIV-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
CID 134874943
2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
CID 58388155
1,3-dimethyl-4-oxocyclohexa-2,5-diene-1-carboxamide
CID 58388165
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
CID 134922179
4-methoxy-2,3-dimethyl-4-phenylcyclohexa-2,5-dien-1-one
CID 134875005
4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
CID 121221553
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
1-methyl-4-[1-(trifluoromethyl)cycloprop-2-en-1-yl]benzene
CID 123450988
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
methyl 2-[2-hydroxy-2-(4-methylphenyl)-5-oxopyrrol-1-yl]acetate
CID 67851607
(1S,6S)-5-methoxy-1-methyl-7,7-bis(4-methylphenyl)-2,8-dioxabicyclo[4.2.0]oct-4-en-3-one
CID 101215716

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one (CID 134874926) is 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one is COC1(c2ccc(C)cc2)C=CC(=O)C(C)=C1.
What is the InChIKey of 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The InChIKey is GJRUUURXPZBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)12(2)10-15/h4-10H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one has a molecular weight of 228.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 134874926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).