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

C17H24O2 — CID 102483120

IUPAC[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone
SMILESCCC[C@@H]1CCC[C@@](C)(O)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H24O2/c1-3-8-13-11-7-12-17(2,19)15(13)16(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,3,7-8,11-12H2,1-2H3/t13-,15-,17-/m1/s1
InChIKeyQTQWWAWMNXQSTQ-FRFSOERESA-N
MW260.38 g/mol
LogP3.84
Rot. Bonds4

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

[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone (PubChem CID 102483120) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone
PubChem CID102483120
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone
SMILESCCC[C@@H]1CCC[C@@](C)(O)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C17H24O2/c1-3-8-13-11-7-12-17(2,19)15(13)16(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,3,7-8,11-12H2,1-2H3/t13-,15-,17-/m1/s1
InChIKeyQTQWWAWMNXQSTQ-FRFSOERESA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.84
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-propylcyclohexyl]-phenylmethanone?
The IUPAC name of [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone (CID 102483120) is [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone is CCC[C@@H]1CCC[C@@](C)(O)[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone?
The InChIKey is QTQWWAWMNXQSTQ-FRFSOERESA-N. The full InChI is InChI=1S/C17H24O2/c1-3-8-13-11-7-12-17(2,19)15(13)16(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,3,7-8,11-12H2,1-2H3/t13-,15-,17-/m1/s1.
What are the key properties of [(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone?
[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone has a molecular weight of 260.38 g/mol, XLogP of 3.84, 4 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-propylcyclohexyl]-phenylmethanone is sourced from PubChem (CID 102483120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).