4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one

C14H16O2 — CID 83261958

IUPAC4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(C2=CCC(=O)CC2)c(C)c1
InChIInChI=1S/C14H16O2/c1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h3,7-9H,4-6H2,1-2H3
InChIKeyUDCWLMMQECLDTJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one

4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one (PubChem CID 83261958) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
PubChem CID83261958
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(C2=CCC(=O)CC2)c(C)c1
InChIInChI=1S/C14H16O2/c1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h3,7-9H,4-6H2,1-2H3
InChIKeyUDCWLMMQECLDTJ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one
CID 83261329
3-(4-methoxy-2-methylphenyl)-5,5-dimethylcyclohex-2-en-1-one
CID 65315804
3-(4-methoxy-2-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 10489002
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 118448854
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one (CID 83261958) is 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one is COc1ccc(C2=CCC(=O)CC2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one?
The InChIKey is UDCWLMMQECLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h3,7-9H,4-6H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one?
4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one is sourced from PubChem (CID 83261958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).