1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one

C13H18O2 — CID 65313346

IUPAC1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O2/c1-5-9(2)13(14)12-7-6-11(15-4)8-10(12)3/h6-9H,5H2,1-4H3
InChIKeyJSJYGMZJBMWZPW-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one

1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one (PubChem CID 65313346) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
PubChem CID65313346
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O2/c1-5-9(2)13(14)12-7-6-11(15-4)8-10(12)3/h6-9H,5H2,1-4H3
InChIKeyJSJYGMZJBMWZPW-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
4-(4-methoxy-2-methylphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82349839
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
CID 71987996
(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
CID 104891125
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one (CID 65313346) is 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one?
The InChIKey is JSJYGMZJBMWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-9(2)13(14)12-7-6-11(15-4)8-10(12)3/h6-9H,5H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one?
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 65313346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).