1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone

C13H11ClO3 — CID 107622692

IUPAC1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
SMILESCOc1cc(-c2ccc(C(C)=O)o2)ccc1Cl
InChIInChI=1S/C13H11ClO3/c1-8(15)11-5-6-12(17-11)9-3-4-10(14)13(7-9)16-2/h3-7H,1-2H3
InChIKeyZOUQDBNYFSUNNU-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.81
Rot. Bonds3

About 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone

1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone (PubChem CID 107622692) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
PubChem CID107622692
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
SMILESCOc1cc(-c2ccc(C(C)=O)o2)ccc1Cl
InChIInChI=1S/C13H11ClO3/c1-8(15)11-5-6-12(17-11)9-3-4-10(14)13(7-9)16-2/h3-7H,1-2H3
InChIKeyZOUQDBNYFSUNNU-UHFFFAOYSA-N
XLogP3.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
CID 168527546
methyl (E)-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]but-2-enoate
CID 110447318
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
CID 65437595
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
CID 107530720
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone (CID 107622692) is 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone is COc1cc(-c2ccc(C(C)=O)o2)ccc1Cl.
What is the InChIKey of 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone?
The InChIKey is ZOUQDBNYFSUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-8(15)11-5-6-12(17-11)9-3-4-10(14)13(7-9)16-2/h3-7H,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone?
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone has a molecular weight of 250.68 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone is sourced from PubChem (CID 107622692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).