1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone

C16H16O3 — CID 764765

IUPAC1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(O)c(C)c1O
InChIInChI=1S/C16H16O3/c1-10-5-3-4-6-12(10)9-15(18)13-7-8-14(17)11(2)16(13)19/h3-8,17,19H,9H2,1-2H3
InChIKeyKWMBRYDKQLGWFA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.14
Rot. Bonds3

About 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone

1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone (PubChem CID 764765) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
PubChem CID764765
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(O)c(C)c1O
InChIInChI=1S/C16H16O3/c1-10-5-3-4-6-12(10)9-15(18)13-7-8-14(17)11(2)16(13)19/h3-8,17,19H,9H2,1-2H3
InChIKeyKWMBRYDKQLGWFA-UHFFFAOYSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone (CID 764765) is 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1ccc(O)c(C)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone?
The InChIKey is KWMBRYDKQLGWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-5-3-4-6-12(10)9-15(18)13-7-8-14(17)11(2)16(13)19/h3-8,17,19H,9H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone?
1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 764765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).