1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one

C13H18O2 — CID 15324535

IUPAC1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)cc1C
InChIInChI=1S/C13H18O2/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8H,1-5H3
InChIKeyMUQOYDOGGXLRIS-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one

1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one (PubChem CID 15324535) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
PubChem CID15324535
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)cc1C
InChIInChI=1S/C13H18O2/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8H,1-5H3
InChIKeyMUQOYDOGGXLRIS-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116920361
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
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
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
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 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one (CID 15324535) is 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one is COc1ccc(C(=O)C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is MUQOYDOGGXLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-8-10(6-7-11(9)15-5)12(14)13(2,3)4/h6-8H,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one?
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 15324535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).