1-benzofuran;1-chloro-4-phenylbenzene

C20H15ClO — CID 175596576

IUPAC1-benzofuran;1-chloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1.c1ccc2occc2c1
InChIInChI=1S/C12H9Cl.C8H6O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-8-7(3-1)5-6-9-8/h1-9H;1-6H
InChIKeyDGRKHCWXDVPLDQ-UHFFFAOYSA-N
MW306.79 g/mol
LogP6.44
Rot. Bonds1

About 1-benzofuran;1-chloro-4-phenylbenzene

1-benzofuran;1-chloro-4-phenylbenzene (PubChem CID 175596576) has the molecular formula C20H15ClO and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-benzofuran;1-chloro-4-phenylbenzene.

Molecular Properties

Compound Name1-benzofuran;1-chloro-4-phenylbenzene
PubChem CID175596576
Molecular FormulaC20H15ClO
Molecular Weight306.79 g/mol
Exact Mass306.08
IUPAC Name1-benzofuran;1-chloro-4-phenylbenzene
SMILESClc1ccc(-c2ccccc2)cc1.c1ccc2occc2c1
InChIInChI=1S/C12H9Cl.C8H6O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-8-7(3-1)5-6-9-8/h1-9H;1-6H
InChIKeyDGRKHCWXDVPLDQ-UHFFFAOYSA-N
XLogP6.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-chloro-4-phenylbenzene?
The IUPAC name of 1-benzofuran;1-chloro-4-phenylbenzene (CID 175596576) is 1-benzofuran;1-chloro-4-phenylbenzene.
What is the SMILES notation for 1-benzofuran;1-chloro-4-phenylbenzene?
The canonical SMILES for 1-benzofuran;1-chloro-4-phenylbenzene is Clc1ccc(-c2ccccc2)cc1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;1-chloro-4-phenylbenzene?
The InChIKey is DGRKHCWXDVPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl.C8H6O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-8-7(3-1)5-6-9-8/h1-9H;1-6H.
What are the key properties of 1-benzofuran;1-chloro-4-phenylbenzene?
1-benzofuran;1-chloro-4-phenylbenzene has a molecular weight of 306.79 g/mol, XLogP of 6.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-chloro-4-phenylbenzene is sourced from PubChem (CID 175596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).