2-[hydroxy(phenyl)methyl]cyclohexan-1-one

C13H16O2 — CID 566736

IUPAC2-[hydroxy(phenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C13H16O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11,13,15H,4-5,8-9H2
InChIKeyYQBZNNFVXOBDSJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.48
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]cyclohexan-1-one

2-[hydroxy(phenyl)methyl]cyclohexan-1-one (PubChem CID 566736) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]cyclohexan-1-one
PubChem CID566736
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[hydroxy(phenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C13H16O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11,13,15H,4-5,8-9H2
InChIKeyYQBZNNFVXOBDSJ-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[hydroxy(phenyl)methyl]cyclohexan-1-one (CID 566736) is 2-[hydroxy(phenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]cyclohexan-1-one is O=C1CCCCC1C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]cyclohexan-1-one?
The InChIKey is YQBZNNFVXOBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11,13,15H,4-5,8-9H2.
What are the key properties of 2-[hydroxy(phenyl)methyl]cyclohexan-1-one?
2-[hydroxy(phenyl)methyl]cyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 566736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).