3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one

C15H18O2 — CID 10977291

IUPAC3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)C(c2ccccc2)C1
InChIInChI=1S/C15H18O2/c1-10-13(12-7-5-4-6-8-12)9-14(17-3)11(2)15(10)16/h4-8,10,13H,9H2,1-3H3
InChIKeyKRIRCMJILZBQRB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds2

About 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one

3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one (PubChem CID 10977291) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one
PubChem CID10977291
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one
SMILESCOC1=C(C)C(=O)C(C)C(c2ccccc2)C1
InChIInChI=1S/C15H18O2/c1-10-13(12-7-5-4-6-8-12)9-14(17-3)11(2)15(10)16/h4-8,10,13H,9H2,1-3H3
InChIKeyKRIRCMJILZBQRB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
(3R,4R)-4-(4-methoxyphenyl)-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 15612122
(4R,5S)-3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 14068206
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
CID 122677486
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one (CID 10977291) is 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one is COC1=C(C)C(=O)C(C)C(c2ccccc2)C1.
What is the InChIKey of 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one?
The InChIKey is KRIRCMJILZBQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-13(12-7-5-4-6-8-12)9-14(17-3)11(2)15(10)16/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one?
3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethyl-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 10977291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).