2-(4-chlorophenyl)furan

C10H7ClO — CID 10965101

IUPAC2-(4-chlorophenyl)furan
SMILESClc1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H7ClO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKeyVKGLKWKQBWOENE-UHFFFAOYSA-N
MW178.62 g/mol
LogP3.60
Rot. Bonds1

About 2-(4-chlorophenyl)furan

2-(4-chlorophenyl)furan (PubChem CID 10965101) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)furan.

Molecular Properties

Compound Name2-(4-chlorophenyl)furan
PubChem CID10965101
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name2-(4-chlorophenyl)furan
SMILESClc1ccc(-c2ccco2)cc1
InChIInChI=1S/C10H7ClO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKeyVKGLKWKQBWOENE-UHFFFAOYSA-N
XLogP3.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)furan?
The IUPAC name of 2-(4-chlorophenyl)furan (CID 10965101) is 2-(4-chlorophenyl)furan.
What is the SMILES notation for 2-(4-chlorophenyl)furan?
The canonical SMILES for 2-(4-chlorophenyl)furan is Clc1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)furan?
The InChIKey is VKGLKWKQBWOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H.
What are the key properties of 2-(4-chlorophenyl)furan?
2-(4-chlorophenyl)furan has a molecular weight of 178.62 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)furan is sourced from PubChem (CID 10965101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).