4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one

C15H18O2 — CID 10036831

IUPAC4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one
SMILESCOc1cc(C)ccc1C1(C)C=CC(=O)CC1
InChIInChI=1S/C15H18O2/c1-11-4-5-13(14(10-11)17-3)15(2)8-6-12(16)7-9-15/h4-6,8,10H,7,9H2,1-3H3
InChIKeyRSHVWHRCIXNXQT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.18
Rot. Bonds2

About 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one

4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one (PubChem CID 10036831) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one
PubChem CID10036831
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one
SMILESCOc1cc(C)ccc1C1(C)C=CC(=O)CC1
InChIInChI=1S/C15H18O2/c1-11-4-5-13(14(10-11)17-3)15(2)8-6-12(16)7-9-15/h4-6,8,10H,7,9H2,1-3H3
InChIKeyRSHVWHRCIXNXQT-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
4,4-bis(3-methylphenyl)cyclohex-2-en-1-one
CID 54188104
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
CID 62355607
3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 43155388
CID 102016574
CID 102016574
CID 131844912
CID 131844912
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
CID 169225392

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one?
The IUPAC name of 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one (CID 10036831) is 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one is COc1cc(C)ccc1C1(C)C=CC(=O)CC1.
What is the InChIKey of 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one?
The InChIKey is RSHVWHRCIXNXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-4-5-13(14(10-11)17-3)15(2)8-6-12(16)7-9-15/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one?
4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenyl)-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10036831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).