(2-hydroxy-5-phenylcyclohexylidene)methanone

C13H14O2 — CID 101443556

IUPAC(2-hydroxy-5-phenylcyclohexylidene)methanone
SMILESO=C=C1CC(c2ccccc2)CCC1O
InChIInChI=1S/C13H14O2/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-5,11,13,15H,6-8H2
InChIKeyZNICMGCDPCUHBQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.07
Rot. Bonds1

About (2-hydroxy-5-phenylcyclohexylidene)methanone

(2-hydroxy-5-phenylcyclohexylidene)methanone (PubChem CID 101443556) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2-hydroxy-5-phenylcyclohexylidene)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-phenylcyclohexylidene)methanone
PubChem CID101443556
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2-hydroxy-5-phenylcyclohexylidene)methanone
SMILESO=C=C1CC(c2ccccc2)CCC1O
InChIInChI=1S/C13H14O2/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-5,11,13,15H,6-8H2
InChIKeyZNICMGCDPCUHBQ-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol
CID 100975405
benzene;cyclopropylbenzene
CID 144638417
1-isocyanato-4-phenylpiperidine
CID 141060435
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
4-phenylcycloheptan-1-ol
CID 86167768
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
7-phenyl-5,6,7,8-tetrahydroindolizine
CID 135070970
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
(3R)-3-phenylcyclohexan-1-one
CID 11041212
sodium 4-phenylcyclohexane-1-carboxylate
CID 23689505
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-phenylcyclohexylidene)methanone?
The IUPAC name of (2-hydroxy-5-phenylcyclohexylidene)methanone (CID 101443556) is (2-hydroxy-5-phenylcyclohexylidene)methanone.
What is the SMILES notation for (2-hydroxy-5-phenylcyclohexylidene)methanone?
The canonical SMILES for (2-hydroxy-5-phenylcyclohexylidene)methanone is O=C=C1CC(c2ccccc2)CCC1O.
What is the InChIKey of (2-hydroxy-5-phenylcyclohexylidene)methanone?
The InChIKey is ZNICMGCDPCUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-5,11,13,15H,6-8H2.
What are the key properties of (2-hydroxy-5-phenylcyclohexylidene)methanone?
(2-hydroxy-5-phenylcyclohexylidene)methanone has a molecular weight of 202.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-phenylcyclohexylidene)methanone is sourced from PubChem (CID 101443556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).