(3R)-3-methyl-3-phenylcyclohexan-1-one

C13H16O — CID 11506594

IUPAC(3R)-3-methyl-3-phenylcyclohexan-1-one
SMILESC[C@@]1(c2ccccc2)CCCC(=O)C1
InChIInChI=1S/C13H16O/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/t13-/m1/s1
InChIKeyHOIXVJDJSJNGFM-CYBMUJFWSA-N
MW188.27 g/mol
LogP3.09
Rot. Bonds1

About (3R)-3-methyl-3-phenylcyclohexan-1-one

(3R)-3-methyl-3-phenylcyclohexan-1-one (PubChem CID 11506594) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (3R)-3-methyl-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-phenylcyclohexan-1-one
PubChem CID11506594
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(3R)-3-methyl-3-phenylcyclohexan-1-one
SMILESC[C@@]1(c2ccccc2)CCCC(=O)C1
InChIInChI=1S/C13H16O/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/t13-/m1/s1
InChIKeyHOIXVJDJSJNGFM-CYBMUJFWSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-phenylcyclohexan-1-one?
The IUPAC name of (3R)-3-methyl-3-phenylcyclohexan-1-one (CID 11506594) is (3R)-3-methyl-3-phenylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-methyl-3-phenylcyclohexan-1-one?
The canonical SMILES for (3R)-3-methyl-3-phenylcyclohexan-1-one is C[C@@]1(c2ccccc2)CCCC(=O)C1.
What is the InChIKey of (3R)-3-methyl-3-phenylcyclohexan-1-one?
The InChIKey is HOIXVJDJSJNGFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-3-phenylcyclohexan-1-one?
(3R)-3-methyl-3-phenylcyclohexan-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-phenylcyclohexan-1-one is sourced from PubChem (CID 11506594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).