3-chloro-2-(3-phenylphenyl)-1-benzofuran

C20H13ClO — CID 150980213

IUPAC3-chloro-2-(3-phenylphenyl)-1-benzofuran
SMILESClc1c(-c2cccc(-c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C20H13ClO/c21-19-17-11-4-5-12-18(17)22-20(19)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H
InChIKeyLPYAIPLEUXQRID-UHFFFAOYSA-N
MW304.78 g/mol
LogP6.42
Rot. Bonds2

About 3-chloro-2-(3-phenylphenyl)-1-benzofuran

3-chloro-2-(3-phenylphenyl)-1-benzofuran (PubChem CID 150980213) has the molecular formula C20H13ClO and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-2-(3-phenylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-chloro-2-(3-phenylphenyl)-1-benzofuran
PubChem CID150980213
Molecular FormulaC20H13ClO
Molecular Weight304.78 g/mol
Exact Mass304.07
IUPAC Name3-chloro-2-(3-phenylphenyl)-1-benzofuran
SMILESClc1c(-c2cccc(-c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C20H13ClO/c21-19-17-11-4-5-12-18(17)22-20(19)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H
InChIKeyLPYAIPLEUXQRID-UHFFFAOYSA-N
XLogP6.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399267
N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401544
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170399271
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170399357
3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553274
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-phenylphenyl)-1-benzofuran?
The IUPAC name of 3-chloro-2-(3-phenylphenyl)-1-benzofuran (CID 150980213) is 3-chloro-2-(3-phenylphenyl)-1-benzofuran.
What is the SMILES notation for 3-chloro-2-(3-phenylphenyl)-1-benzofuran?
The canonical SMILES for 3-chloro-2-(3-phenylphenyl)-1-benzofuran is Clc1c(-c2cccc(-c3ccccc3)c2)oc2ccccc12.
What is the InChIKey of 3-chloro-2-(3-phenylphenyl)-1-benzofuran?
The InChIKey is LPYAIPLEUXQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO/c21-19-17-11-4-5-12-18(17)22-20(19)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 3-chloro-2-(3-phenylphenyl)-1-benzofuran?
3-chloro-2-(3-phenylphenyl)-1-benzofuran has a molecular weight of 304.78 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-phenylphenyl)-1-benzofuran is sourced from PubChem (CID 150980213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).