7-chloro-2-phenyldibenzofuran

C18H11ClO — CID 146877075

IUPAC7-chloro-2-phenyldibenzofuran
SMILESClc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H11ClO/c19-14-7-8-15-16-10-13(12-4-2-1-3-5-12)6-9-17(16)20-18(15)11-14/h1-11H
InChIKeySQSODMRAGIHJEW-UHFFFAOYSA-N
MW278.74 g/mol
LogP5.91
Rot. Bonds1

About 7-chloro-2-phenyldibenzofuran

7-chloro-2-phenyldibenzofuran (PubChem CID 146877075) has the molecular formula C18H11ClO and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-2-phenyldibenzofuran.

Molecular Properties

Compound Name7-chloro-2-phenyldibenzofuran
PubChem CID146877075
Molecular FormulaC18H11ClO
Molecular Weight278.74 g/mol
Exact Mass278.05
IUPAC Name7-chloro-2-phenyldibenzofuran
SMILESClc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H11ClO/c19-14-7-8-15-16-10-13(12-4-2-1-3-5-12)6-9-17(16)20-18(15)11-14/h1-11H
InChIKeySQSODMRAGIHJEW-UHFFFAOYSA-N
XLogP5.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.74
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-phenyldibenzofuran?
The IUPAC name of 7-chloro-2-phenyldibenzofuran (CID 146877075) is 7-chloro-2-phenyldibenzofuran.
What is the SMILES notation for 7-chloro-2-phenyldibenzofuran?
The canonical SMILES for 7-chloro-2-phenyldibenzofuran is Clc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.
What is the InChIKey of 7-chloro-2-phenyldibenzofuran?
The InChIKey is SQSODMRAGIHJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO/c19-14-7-8-15-16-10-13(12-4-2-1-3-5-12)6-9-17(16)20-18(15)11-14/h1-11H.
What are the key properties of 7-chloro-2-phenyldibenzofuran?
7-chloro-2-phenyldibenzofuran has a molecular weight of 278.74 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyldibenzofuran is sourced from PubChem (CID 146877075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).