3-hydroxy-3-phenylcyclohexan-1-one

C12H14O2 — CID 569816

IUPAC3-hydroxy-3-phenylcyclohexan-1-one
SMILESO=C1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
InChIKeyQRGQOEHXZJGPPC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.02
Rot. Bonds1

About 3-hydroxy-3-phenylcyclohexan-1-one

3-hydroxy-3-phenylcyclohexan-1-one (PubChem CID 569816) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-hydroxy-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name3-hydroxy-3-phenylcyclohexan-1-one
PubChem CID569816
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-hydroxy-3-phenylcyclohexan-1-one
SMILESO=C1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H14O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
InChIKeyQRGQOEHXZJGPPC-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenylcyclohexan-1-one?
The IUPAC name of 3-hydroxy-3-phenylcyclohexan-1-one (CID 569816) is 3-hydroxy-3-phenylcyclohexan-1-one.
What is the SMILES notation for 3-hydroxy-3-phenylcyclohexan-1-one?
The canonical SMILES for 3-hydroxy-3-phenylcyclohexan-1-one is O=C1CCCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-hydroxy-3-phenylcyclohexan-1-one?
The InChIKey is QRGQOEHXZJGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2.
What are the key properties of 3-hydroxy-3-phenylcyclohexan-1-one?
3-hydroxy-3-phenylcyclohexan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylcyclohexan-1-one is sourced from PubChem (CID 569816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).