4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one

C15H16O2 — CID 134874943

IUPAC4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccc(C)cc2)C=CC(=O)C=C1C
InChIInChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)10-12(15)2/h4-10H,1-3H3
InChIKeyUPVSCLUCYGGUMM-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.92
Rot. Bonds2

About 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one

4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one (PubChem CID 134874943) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
PubChem CID134874943
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccc(C)cc2)C=CC(=O)C=C1C
InChIInChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)10-12(15)2/h4-10H,1-3H3
InChIKeyUPVSCLUCYGGUMM-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one (CID 134874943) is 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one is COC1(c2ccc(C)cc2)C=CC(=O)C=C1C.
What is the InChIKey of 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
The InChIKey is UPVSCLUCYGGUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-4-6-13(7-5-11)15(17-3)9-8-14(16)10-12(15)2/h4-10H,1-3H3.
What are the key properties of 4-methoxy-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one?
4-methoxy-3-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-3-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 134874943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).