(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one

C15H20O2 — CID 124560423

IUPAC(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
SMILESCOc1cccc([C@H]2CC(C)(C)CCC2=O)c1
InChIInChI=1S/C15H20O2/c1-15(2)8-7-14(16)13(10-15)11-5-4-6-12(9-11)17-3/h4-6,9,13H,7-8,10H2,1-3H3/t13-/m1/s1
InChIKeyFZDJPBFPMVHGSI-CYBMUJFWSA-N
MW232.32 g/mol
LogP3.56
Rot. Bonds2

About (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one

(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one (PubChem CID 124560423) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
PubChem CID124560423
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
SMILESCOc1cccc([C@H]2CC(C)(C)CCC2=O)c1
InChIInChI=1S/C15H20O2/c1-15(2)8-7-14(16)13(10-15)11-5-4-6-12(9-11)17-3/h4-6,9,13H,7-8,10H2,1-3H3/t13-/m1/s1
InChIKeyFZDJPBFPMVHGSI-CYBMUJFWSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
2-(methoxymethyl)-4-(3-methoxyphenyl)-2-methylpyrrolidine
CID 117270796
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one?
The IUPAC name of (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one (CID 124560423) is (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one?
The canonical SMILES for (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one is COc1cccc([C@H]2CC(C)(C)CCC2=O)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one?
The InChIKey is FZDJPBFPMVHGSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2)8-7-14(16)13(10-15)11-5-4-6-12(9-11)17-3/h4-6,9,13H,7-8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one?
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one is sourced from PubChem (CID 124560423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).