3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one

C15H22O2 — CID 82290788

IUPAC3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
SMILESCOc1c(C)cc(C(C)(C)C(C)=O)c(C)c1C
InChIInChI=1S/C15H22O2/c1-9-8-13(15(5,6)12(4)16)10(2)11(3)14(9)17-7/h8H,1-7H3
InChIKeyLQIITBGMNRRKIE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds3

About 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one

3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one (PubChem CID 82290788) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
PubChem CID82290788
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
SMILESCOc1c(C)cc(C(C)(C)C(C)=O)c(C)c1C
InChIInChI=1S/C15H22O2/c1-9-8-13(15(5,6)12(4)16)10(2)11(3)14(9)17-7/h8H,1-7H3
InChIKeyLQIITBGMNRRKIE-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one (CID 82290788) is 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one is COc1c(C)cc(C(C)(C)C(C)=O)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one?
The InChIKey is LQIITBGMNRRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-8-13(15(5,6)12(4)16)10(2)11(3)14(9)17-7/h8H,1-7H3.
What are the key properties of 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one?
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 82290788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).