2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one

C12H16O4 — CID 67627861

IUPAC2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H16O4/c1-8-3-4-10(13)9(7-8)12(15)11(14)5-6-16-2/h3-4,7,11,13-14H,5-6H2,1-2H3
InChIKeyFQTZIFICDYPKOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds5

About 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one

2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one (PubChem CID 67627861) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one
PubChem CID67627861
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H16O4/c1-8-3-4-10(13)9(7-8)12(15)11(14)5-6-16-2/h3-4,7,11,13-14H,5-6H2,1-2H3
InChIKeyFQTZIFICDYPKOO-UHFFFAOYSA-N
XLogP1.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylbenzamide
CID 61073232
2-chloro-1-(2-hydroxy-5-methylphenyl)-3-methylbutan-1-one
CID 121002762
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one?
The IUPAC name of 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one (CID 67627861) is 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one is COCCC(O)C(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one?
The InChIKey is FQTZIFICDYPKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-3-4-10(13)9(7-8)12(15)11(14)5-6-16-2/h3-4,7,11,13-14H,5-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one?
2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one has a molecular weight of 224.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one is sourced from PubChem (CID 67627861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).