4-methoxy-1-(3-methoxyphenyl)butan-1-one

C12H16O3 — CID 62620743

IUPAC4-methoxy-1-(3-methoxyphenyl)butan-1-one
SMILESCOCCCC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16O3/c1-14-8-4-7-12(13)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyZOYAWICRRMWFDB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.30
Rot. Bonds6

About 4-methoxy-1-(3-methoxyphenyl)butan-1-one

4-methoxy-1-(3-methoxyphenyl)butan-1-one (PubChem CID 62620743) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methoxy-1-(3-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(3-methoxyphenyl)butan-1-one
PubChem CID62620743
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-methoxy-1-(3-methoxyphenyl)butan-1-one
SMILESCOCCCC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16O3/c1-14-8-4-7-12(13)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyZOYAWICRRMWFDB-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
1-(3-methoxyphenyl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64637403
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
(3-acetylphenyl) 4-methoxybutanoate
CID 86997678
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methoxyphenyl)butan-1-one?
The IUPAC name of 4-methoxy-1-(3-methoxyphenyl)butan-1-one (CID 62620743) is 4-methoxy-1-(3-methoxyphenyl)butan-1-one.
What is the SMILES notation for 4-methoxy-1-(3-methoxyphenyl)butan-1-one?
The canonical SMILES for 4-methoxy-1-(3-methoxyphenyl)butan-1-one is COCCCC(=O)c1cccc(OC)c1.
What is the InChIKey of 4-methoxy-1-(3-methoxyphenyl)butan-1-one?
The InChIKey is ZOYAWICRRMWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-8-4-7-12(13)10-5-3-6-11(9-10)15-2/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-1-(3-methoxyphenyl)butan-1-one?
4-methoxy-1-(3-methoxyphenyl)butan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methoxyphenyl)butan-1-one is sourced from PubChem (CID 62620743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).