1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one

C16H16O2 — CID 175319649

IUPAC1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(O)cccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-11-6-8-13(9-7-11)14-4-3-5-16(18)15(14)10-12(2)17/h3-9,18H,10H2,1-2H3
InChIKeyFYQVCQLFYOTKNY-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.50
Rot. Bonds3

About 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one

1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one (PubChem CID 175319649) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
PubChem CID175319649
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1c(O)cccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-11-6-8-13(9-7-11)14-4-3-5-16(18)15(14)10-12(2)17/h3-9,18H,10H2,1-2H3
InChIKeyFYQVCQLFYOTKNY-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
CID 174905893
2,3-bis(4-methylphenyl)phenol
CID 175749747
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
2,6-bis(4-methylphenyl)benzamide
CID 11301076
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
2-[2-(4-methylphenyl)phenyl]acetyl chloride
CID 23292502
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
2-(hydroxymethyl)-3-methylphenol
CID 10997099

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one?
The IUPAC name of 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one (CID 175319649) is 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one is CC(=O)Cc1c(O)cccc1-c1ccc(C)cc1.
What is the InChIKey of 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one?
The InChIKey is FYQVCQLFYOTKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-6-8-13(9-7-11)14-4-3-5-16(18)15(14)10-12(2)17/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one?
1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one has a molecular weight of 240.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one is sourced from PubChem (CID 175319649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).