2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

C19H22O2 — CID 116543131

IUPAC2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCOc1ccccc1CC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H22O2/c1-14(2)11-15-7-6-9-16(12-15)18(20)13-17-8-4-5-10-19(17)21-3/h4-10,12,14H,11,13H2,1-3H3
InChIKeyDDORCZVZXLXABC-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.32
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone

2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (PubChem CID 116543131) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
PubChem CID116543131
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
SMILESCOc1ccccc1CC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H22O2/c1-14(2)11-15-7-6-9-16(12-15)18(20)13-17-8-4-5-10-19(17)21-3/h4-10,12,14H,11,13H2,1-3H3
InChIKeyDDORCZVZXLXABC-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-one
CID 116708645
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
fluoro 3-(2-methylpropyl)benzoate
CID 176661814

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone (CID 116543131) is 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is COc1ccccc1CC(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
The InChIKey is DDORCZVZXLXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)11-15-7-6-9-16(12-15)18(20)13-17-8-4-5-10-19(17)21-3/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone?
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 116543131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).