2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran

C22H15ClO — CID 88836846

IUPAC2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
SMILESClc1ccc(/C=C/c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H15ClO/c23-20-13-9-17(10-14-20)6-5-16-7-11-18(12-8-16)22-15-19-3-1-2-4-21(19)24-22/h1-15H/b6-5+
InChIKeyDVWKVZWKMHBSHM-AATRIKPKSA-N
MW330.81 g/mol
LogP6.92
Rot. Bonds3

About 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran (PubChem CID 88836846) has the molecular formula C22H15ClO and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
PubChem CID88836846
Molecular FormulaC22H15ClO
Molecular Weight330.81 g/mol
Exact Mass330.08
IUPAC Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
SMILESClc1ccc(/C=C/c2ccc(-c3cc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H15ClO/c23-20-13-9-17(10-14-20)6-5-16-7-11-18(12-8-16)22-15-19-3-1-2-4-21(19)24-22/h1-15H/b6-5+
InChIKeyDVWKVZWKMHBSHM-AATRIKPKSA-N
XLogP6.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.81
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride
CID 157305166
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-(3-chloro-5-phenylphenyl)-1-benzofuran
CID 144661171
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-(3-bromo-5-chlorophenyl)-1-benzofuran
CID 144661039
2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
3-[(4-chlorophenyl)methylideneamino]chromen-2-one
CID 15930944
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran?
The IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran (CID 88836846) is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran.
What is the SMILES notation for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran?
The canonical SMILES for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran is Clc1ccc(/C=C/c2ccc(-c3cc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran?
The InChIKey is DVWKVZWKMHBSHM-AATRIKPKSA-N. The full InChI is InChI=1S/C22H15ClO/c23-20-13-9-17(10-14-20)6-5-16-7-11-18(12-8-16)22-15-19-3-1-2-4-21(19)24-22/h1-15H/b6-5+.
What are the key properties of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran?
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran has a molecular weight of 330.81 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran is sourced from PubChem (CID 88836846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).