2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran

C21H15ClO — CID 70351350

IUPAC2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran
SMILESClC(c1cc2ccccc2o1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H15ClO/c22-21(20-14-16-10-4-7-13-19(16)23-20)18-12-6-5-11-17(18)15-8-2-1-3-9-15/h1-14,21H
InChIKeyDCUVARVGSNBVCK-UHFFFAOYSA-N
MW318.80 g/mol
LogP6.43
Rot. Bonds3

About 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran

2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran (PubChem CID 70351350) has the molecular formula C21H15ClO and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran
PubChem CID70351350
Molecular FormulaC21H15ClO
Molecular Weight318.80 g/mol
Exact Mass318.08
IUPAC Name2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran
SMILESClC(c1cc2ccccc2o1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H15ClO/c22-21(20-14-16-10-4-7-13-19(16)23-20)18-12-6-5-11-17(18)15-8-2-1-3-9-15/h1-14,21H
InChIKeyDCUVARVGSNBVCK-UHFFFAOYSA-N
XLogP6.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(dichloromethyl)-2-phenylbenzene;methane
CID 175246566
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
N,3-diphenylchromen-2-imine
CID 135029902
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559
2-(1-benzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170398915
3-[1-benzofuran-2-yl(bromo)methyl]-2-phenylquinoline
CID 59766879
1-(1-benzofuran-2-yl)-3-chloropropane-1,2-diol
CID 171863453
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide
CID 56956594

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran?
The IUPAC name of 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran (CID 70351350) is 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran.
What is the SMILES notation for 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran?
The canonical SMILES for 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran is ClC(c1cc2ccccc2o1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran?
The InChIKey is DCUVARVGSNBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO/c22-21(20-14-16-10-4-7-13-19(16)23-20)18-12-6-5-11-17(18)15-8-2-1-3-9-15/h1-14,21H.
What are the key properties of 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran?
2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran has a molecular weight of 318.80 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran is sourced from PubChem (CID 70351350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).