4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one

C16H18O3 — CID 105085257

IUPAC4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CCc1ccco1
InChIInChI=1S/C16H18O3/c1-12-5-8-16(18-2)13(10-12)11-14(17)6-7-15-4-3-9-19-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyPKYLYSJBJYZWQH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.34
Rot. Bonds6

About 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one

4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one (PubChem CID 105085257) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
PubChem CID105085257
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
SMILESCOc1ccc(C)cc1CC(=O)CCc1ccco1
InChIInChI=1S/C16H18O3/c1-12-5-8-16(18-2)13(10-12)11-14(17)6-7-15-4-3-9-19-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyPKYLYSJBJYZWQH-UHFFFAOYSA-N
XLogP3.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907516
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
4-(2-methoxy-5-methylphenyl)-1-(methylamino)butan-2-one
CID 112517838
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
1-(2-methoxy-5-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146844
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one?
The IUPAC name of 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one (CID 105085257) is 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one is COc1ccc(C)cc1CC(=O)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one?
The InChIKey is PKYLYSJBJYZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12-5-8-16(18-2)13(10-12)11-14(17)6-7-15-4-3-9-19-15/h3-5,8-10H,6-7,11H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one?
4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one is sourced from PubChem (CID 105085257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).