1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one

C15H22O3 — CID 43626575

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H22O3/c1-6-7-10(2)15(16)12-9-14(18-5)13(17-4)8-11(12)3/h8-10H,6-7H2,1-5H3
InChIKeyZSAAKBONSKJCFF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.63
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one

1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one (PubChem CID 43626575) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
PubChem CID43626575
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H22O3/c1-6-7-10(2)15(16)12-9-14(18-5)13(17-4)8-11(12)3/h8-10H,6-7H2,1-5H3
InChIKeyZSAAKBONSKJCFF-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
CID 65439340
4-(4,5-dimethoxy-2-methylphenyl)-3-methyl-4-oxobutanoic acid
CID 116918300
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
4-(4,5-dimethoxy-2-methylphenyl)-2-methyl-4-oxobutanoic acid
CID 116918432
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
(2S)-2-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
3-amino-1-(4,5-dimethoxy-2-methylphenyl)butan-1-one
CID 116915618
4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 116916071
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 112512495
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one (CID 43626575) is 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one is CCCC(C)C(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one?
The InChIKey is ZSAAKBONSKJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-7-10(2)15(16)12-9-14(18-5)13(17-4)8-11(12)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one?
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 43626575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).