1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one

C16H24O2 — CID 94978273

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
SMILESCOc1cc(C)c(C(=O)CC(C)C)cc1C(C)C
InChIInChI=1S/C16H24O2/c1-10(2)7-15(17)14-9-13(11(3)4)16(18-6)8-12(14)5/h8-11H,7H2,1-6H3
InChIKeyRGBJTMKLVVJMAN-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one (PubChem CID 94978273) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
PubChem CID94978273
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
SMILESCOc1cc(C)c(C(=O)CC(C)C)cc1C(C)C
InChIInChI=1S/C16H24O2/c1-10(2)7-15(17)14-9-13(11(3)4)16(18-6)8-12(14)5/h8-11H,7H2,1-6H3
InChIKeyRGBJTMKLVVJMAN-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-oxobutanenitrile
CID 94977910
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978847
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
3-amino-1-(4,5-dimethoxy-2-methylphenyl)butan-1-one
CID 116915618
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
4-(4,5-dimethoxy-2-methylphenyl)-2-methyl-4-oxobutanoic acid
CID 116918432
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one (CID 94978273) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one is COc1cc(C)c(C(=O)CC(C)C)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one?
The InChIKey is RGBJTMKLVVJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)7-15(17)14-9-13(11(3)4)16(18-6)8-12(14)5/h8-11H,7H2,1-6H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one has a molecular weight of 248.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 94978273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).