4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one

C14H14O2 — CID 15732556

IUPAC4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccccc2)C=CC(=O)C=C1C
InChIInChI=1S/C14H14O2/c1-11-10-13(15)8-9-14(11,16-2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYPGNLDQZNPFJDK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.61
Rot. Bonds2

About 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one

4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one (PubChem CID 15732556) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one
PubChem CID15732556
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one
SMILESCOC1(c2ccccc2)C=CC(=O)C=C1C
InChIInChI=1S/C14H14O2/c1-11-10-13(15)8-9-14(11,16-2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYPGNLDQZNPFJDK-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.61
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
4-methoxy-2,3-dimethyl-4-phenylcyclohexa-2,5-dien-1-one
CID 134875005
4-methoxy-4-quinolin-3-ylcyclohexa-2,5-dien-1-one
CID 70923086
4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
4-phenyl-4-propanoylcyclohexa-2,5-dien-1-one
CID 135058274
1-methoxy-4-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175187792
(5S)-6-methyl-4-phenyl-3-(trifluoromethyl)-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122204133
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
CID 10591514
4-methoxy-4-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 152749301
4-fluoro-3-methyl-4-propan-2-ylcyclohexa-2,5-dien-1-one
CID 45096400
4-(dibromomethyl)-3,4-dimethylcyclohexa-2,5-dien-1-one
CID 4539699

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one (CID 15732556) is 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one is COC1(c2ccccc2)C=CC(=O)C=C1C.
What is the InChIKey of 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one?
The InChIKey is YPGNLDQZNPFJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11-10-13(15)8-9-14(11,16-2)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one?
4-methoxy-3-methyl-4-phenylcyclohexa-2,5-dien-1-one has a molecular weight of 214.26 g/mol, XLogP of 2.61, 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-phenylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 15732556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).