4-chloro-2-phenylfuran

C10H7ClO — CID 69397490

IUPAC4-chloro-2-phenylfuran
SMILESClc1coc(-c2ccccc2)c1
InChIInChI=1S/C10H7ClO/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyALNVRIIWBOPCNF-UHFFFAOYSA-N
MW178.62 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-2-phenylfuran

4-chloro-2-phenylfuran (PubChem CID 69397490) has the molecular formula C10H7ClO and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-2-phenylfuran.

Molecular Properties

Compound Name4-chloro-2-phenylfuran
PubChem CID69397490
Molecular FormulaC10H7ClO
Molecular Weight178.62 g/mol
Exact Mass178.02
IUPAC Name4-chloro-2-phenylfuran
SMILESClc1coc(-c2ccccc2)c1
InChIInChI=1S/C10H7ClO/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyALNVRIIWBOPCNF-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 4-chloro-2-phenylfuran?
The IUPAC name of 4-chloro-2-phenylfuran (CID 69397490) is 4-chloro-2-phenylfuran.
What is the SMILES notation for 4-chloro-2-phenylfuran?
The canonical SMILES for 4-chloro-2-phenylfuran is Clc1coc(-c2ccccc2)c1.
What is the InChIKey of 4-chloro-2-phenylfuran?
The InChIKey is ALNVRIIWBOPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-2-phenylfuran?
4-chloro-2-phenylfuran 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 4-chloro-2-phenylfuran is sourced from PubChem (CID 69397490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).