4-hydroxy-4-phenylcyclohexan-1-one

C12H14O2 — CID 583741

IUPAC4-hydroxy-4-phenylcyclohexan-1-one
SMILESO=C1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H14O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,14H,6-9H2
InChIKeyFAQXRYQUQBSKEC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.02
Rot. Bonds1

About 4-hydroxy-4-phenylcyclohexan-1-one

4-hydroxy-4-phenylcyclohexan-1-one (PubChem CID 583741) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-hydroxy-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-phenylcyclohexan-1-one
PubChem CID583741
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-hydroxy-4-phenylcyclohexan-1-one
SMILESO=C1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H14O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,14H,6-9H2
InChIKeyFAQXRYQUQBSKEC-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 4-hydroxy-4-phenylcyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-phenylcyclohexan-1-one (CID 583741) is 4-hydroxy-4-phenylcyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-phenylcyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-phenylcyclohexan-1-one is O=C1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-4-phenylcyclohexan-1-one?
The InChIKey is FAQXRYQUQBSKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,14H,6-9H2.
What are the key properties of 4-hydroxy-4-phenylcyclohexan-1-one?
4-hydroxy-4-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 4-hydroxy-4-phenylcyclohexan-1-one is sourced from PubChem (CID 583741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).