2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one

C13H18O3 — CID 116920372

IUPAC2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)C(C)(C)O
InChIInChI=1S/C13H18O3/c1-8-6-10(12(14)13(3,4)15)11(16-5)7-9(8)2/h6-7,15H,1-5H3
InChIKeyIRCMVIMJVJWPJO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.27
Rot. Bonds3

About 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one

2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 116920372) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
PubChem CID116920372
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)C(C)(C)O
InChIInChI=1S/C13H18O3/c1-8-6-10(12(14)13(3,4)15)11(16-5)7-9(8)2/h6-7,15H,1-5H3
InChIKeyIRCMVIMJVJWPJO-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920399
3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919330
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361
methyl 2-(2-methoxy-4,5-dimethylphenyl)-2-oxoacetate
CID 82114608
1-(4-bromo-2-methoxy-5-methylphenyl)-2,2,2-trifluoroethanone
CID 169256767
2-methoxy-4,5-dimethylbenzoyl cyanide
CID 116918953
2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
CID 82283268
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 94275913

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one (CID 116920372) is 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one is COc1cc(C)c(C)cc1C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is IRCMVIMJVJWPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-6-10(12(14)13(3,4)15)11(16-5)7-9(8)2/h6-7,15H,1-5H3.
What are the key properties of 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one?
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).