[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone

C20H22O2 — CID 11415177

IUPAC[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone
SMILESC[C@@]1(O)CCC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H22O2/c1-20(22)14-8-13-17(15-9-4-2-5-10-15)18(20)19(21)16-11-6-3-7-12-16/h2-7,9-12,17-18,22H,8,13-14H2,1H3/t17-,18+,20+/m0/s1
InChIKeyGZFKGYZRPIGVKT-NLWGTHIKSA-N
MW294.39 g/mol
LogP4.20
Rot. Bonds3

About [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone

[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone (PubChem CID 11415177) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone
PubChem CID11415177
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone
SMILESC[C@@]1(O)CCC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H22O2/c1-20(22)14-8-13-17(15-9-4-2-5-10-15)18(20)19(21)16-11-6-3-7-12-16/h2-7,9-12,17-18,22H,8,13-14H2,1H3/t17-,18+,20+/m0/s1
InChIKeyGZFKGYZRPIGVKT-NLWGTHIKSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone?
The IUPAC name of [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone (CID 11415177) is [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone is C[C@@]1(O)CCC[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone?
The InChIKey is GZFKGYZRPIGVKT-NLWGTHIKSA-N. The full InChI is InChI=1S/C20H22O2/c1-20(22)14-8-13-17(15-9-4-2-5-10-15)18(20)19(21)16-11-6-3-7-12-16/h2-7,9-12,17-18,22H,8,13-14H2,1H3/t17-,18+,20+/m0/s1.
What are the key properties of [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone?
[(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone has a molecular weight of 294.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,6R)-2-hydroxy-2-methyl-6-phenylcyclohexyl]-phenylmethanone is sourced from PubChem (CID 11415177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).