2-(2-hydroxy-5-methylphenyl)-2-phenylethenone

C15H12O2 — CID 89322501

IUPAC2-(2-hydroxy-5-methylphenyl)-2-phenylethenone
SMILESCc1ccc(O)c(C(=C=O)c2ccccc2)c1
InChIInChI=1S/C15H12O2/c1-11-7-8-15(17)13(9-11)14(10-16)12-5-3-2-4-6-12/h2-9,17H,1H3
InChIKeyWWIGYBIQOVTWJJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.96
Rot. Bonds2

About 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone

2-(2-hydroxy-5-methylphenyl)-2-phenylethenone (PubChem CID 89322501) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)-2-phenylethenone
PubChem CID89322501
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2-(2-hydroxy-5-methylphenyl)-2-phenylethenone
SMILESCc1ccc(O)c(C(=C=O)c2ccccc2)c1
InChIInChI=1S/C15H12O2/c1-11-7-8-15(17)13(9-11)14(10-16)12-5-3-2-4-6-12/h2-9,17H,1H3
InChIKeyWWIGYBIQOVTWJJ-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.96
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

(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
CID 136704880
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
2-benzoyl-5-methylbenzamide
CID 69123799
2-(2-hydroxy-5-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 4125993
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 7059682
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone (CID 89322501) is 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone is Cc1ccc(O)c(C(=C=O)c2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone?
The InChIKey is WWIGYBIQOVTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-11-7-8-15(17)13(9-11)14(10-16)12-5-3-2-4-6-12/h2-9,17H,1H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone?
2-(2-hydroxy-5-methylphenyl)-2-phenylethenone has a molecular weight of 224.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)-2-phenylethenone is sourced from PubChem (CID 89322501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).