2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one

C12H16O3 — CID 116920361

IUPAC2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)O)cc1C
InChIInChI=1S/C12H16O3/c1-8-7-9(5-6-10(8)15-4)11(13)12(2,3)14/h5-7,14H,1-4H3
InChIKeyRWJRTAFGXPHTOF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds3

About 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one

2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one (PubChem CID 116920361) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
PubChem CID116920361
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)O)cc1C
InChIInChI=1S/C12H16O3/c1-8-7-9(5-6-10(8)15-4)11(13)12(2,3)14/h5-7,14H,1-4H3
InChIKeyRWJRTAFGXPHTOF-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
1-(4,5-dimethoxy-2-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920399
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
CID 116920372
1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 12610098
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one (CID 116920361) is 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)C(C)(C)O)cc1C.
What is the InChIKey of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one?
The InChIKey is RWJRTAFGXPHTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-7-9(5-6-10(8)15-4)11(13)12(2,3)14/h5-7,14H,1-4H3.
What are the key properties of 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one?
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116920361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).