3-chlorodibenzofuran

C12H7ClO — CID 527713

IUPAC3-chlorodibenzofuran
SMILESClc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H7ClO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKeyBBOZMMAURMEVAR-UHFFFAOYSA-N
MW202.64 g/mol
LogP4.24
Rot. Bonds

About 3-chlorodibenzofuran

3-chlorodibenzofuran (PubChem CID 527713) has the molecular formula C12H7ClO and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-chlorodibenzofuran.

Molecular Properties

Compound Name3-chlorodibenzofuran
PubChem CID527713
Molecular FormulaC12H7ClO
Molecular Weight202.64 g/mol
Exact Mass202.02
IUPAC Name3-chlorodibenzofuran
SMILESClc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H7ClO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKeyBBOZMMAURMEVAR-UHFFFAOYSA-N
XLogP4.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chlorodibenzofuran?
The IUPAC name of 3-chlorodibenzofuran (CID 527713) is 3-chlorodibenzofuran.
What is the SMILES notation for 3-chlorodibenzofuran?
The canonical SMILES for 3-chlorodibenzofuran is Clc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-chlorodibenzofuran?
The InChIKey is BBOZMMAURMEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H.
What are the key properties of 3-chlorodibenzofuran?
3-chlorodibenzofuran has a molecular weight of 202.64 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorodibenzofuran is sourced from PubChem (CID 527713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).