3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one

C14H20O2 — CID 116543141

IUPAC3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
SMILESCOCCC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H20O2/c1-11(2)9-12-5-4-6-13(10-12)14(15)7-8-16-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyRRKALMWXGMHPJV-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds6

About 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one

3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one (PubChem CID 116543141) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
PubChem CID116543141
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
SMILESCOCCC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H20O2/c1-11(2)9-12-5-4-6-13(10-12)14(15)7-8-16-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyRRKALMWXGMHPJV-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
3-methoxy-1-phenylpropan-1-one
CID 10942788
N,3-bis(2-methylpropyl)benzamide
CID 176945198
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
4-(2-aminoethyl)-1-[3-(2-methylpropyl)phenyl]heptan-1-one
CID 116583003
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The IUPAC name of 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one (CID 116543141) is 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one is COCCC(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one?
The InChIKey is RRKALMWXGMHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)9-12-5-4-6-13(10-12)14(15)7-8-16-3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one?
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one is sourced from PubChem (CID 116543141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).