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

C12H14O — CID 11041212

IUPAC(3R)-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-/m1/s1
InChIKeyCJAUDSQXFVZPTO-LLVKDONJSA-N
MW174.24 g/mol
LogP2.91
Rot. Bonds1

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

(3R)-3-phenylcyclohexan-1-one (PubChem CID 11041212) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (3R)-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-phenylcyclohexan-1-one
PubChem CID11041212
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(3R)-3-phenylcyclohexan-1-one
SMILESO=C1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-/m1/s1
InChIKeyCJAUDSQXFVZPTO-LLVKDONJSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylcyclohexan-1-one?
The IUPAC name of (3R)-3-phenylcyclohexan-1-one (CID 11041212) is (3R)-3-phenylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-phenylcyclohexan-1-one?
The canonical SMILES for (3R)-3-phenylcyclohexan-1-one is O=C1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of (3R)-3-phenylcyclohexan-1-one?
The InChIKey is CJAUDSQXFVZPTO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-/m1/s1.
What are the key properties of (3R)-3-phenylcyclohexan-1-one?
(3R)-3-phenylcyclohexan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylcyclohexan-1-one is sourced from PubChem (CID 11041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).