1-(2-hydroxy-4,6-dimethylphenyl)ethanone

C20H24O4 — CID 139057763

IUPAC1-(2-hydroxy-4,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1O
InChIInChI=1S/2C10H12O2/c2*1-6-4-7(2)10(8(3)11)9(12)5-6/h2*4-5,12H,1-3H3
InChIKeyTXKVBBPDWGUARD-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.42
Rot. Bonds2

About 1-(2-hydroxy-4,6-dimethylphenyl)ethanone

1-(2-hydroxy-4,6-dimethylphenyl)ethanone (PubChem CID 139057763) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethylphenyl)ethanone
PubChem CID139057763
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-(2-hydroxy-4,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1O
InChIInChI=1S/2C10H12O2/c2*1-6-4-7(2)10(8(3)11)9(12)5-6/h2*4-5,12H,1-3H3
InChIKeyTXKVBBPDWGUARD-UHFFFAOYSA-N
XLogP4.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Quinizarin
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2'-Hydroxychalcone
CID 638276
1-Hydroxyanthraquinone
CID 8512
Cannabidiolic acid
CID 160570
Ginkgolic acid
CID 5281858

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-4,6-dimethylphenyl)ethanone (CID 139057763) is 1-(2-hydroxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethylphenyl)ethanone is CC(=O)c1c(C)cc(C)cc1O.CC(=O)c1c(C)cc(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
The InChIKey is TXKVBBPDWGUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O2/c2*1-6-4-7(2)10(8(3)11)9(12)5-6/h2*4-5,12H,1-3H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethylphenyl)ethanone?
1-(2-hydroxy-4,6-dimethylphenyl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 139057763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).