2-[4-(3-methylphenyl)phenyl]-1-benzofuran

C21H16O — CID 132966930

IUPAC2-[4-(3-methylphenyl)phenyl]-1-benzofuran
SMILESCc1cccc(-c2ccc(-c3cc4ccccc4o3)cc2)c1
InChIInChI=1S/C21H16O/c1-15-5-4-7-18(13-15)16-9-11-17(12-10-16)21-14-19-6-2-3-8-20(19)22-21/h2-14H,1H3
InChIKeyDGAVASXODJKBDU-UHFFFAOYSA-N
MW284.36 g/mol
LogP6.08
Rot. Bonds2

About 2-[4-(3-methylphenyl)phenyl]-1-benzofuran

2-[4-(3-methylphenyl)phenyl]-1-benzofuran (PubChem CID 132966930) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)phenyl]-1-benzofuran
PubChem CID132966930
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-[4-(3-methylphenyl)phenyl]-1-benzofuran
SMILESCc1cccc(-c2ccc(-c3cc4ccccc4o3)cc2)c1
InChIInChI=1S/C21H16O/c1-15-5-4-7-18(13-15)16-9-11-17(12-10-16)21-14-19-6-2-3-8-20(19)22-21/h2-14H,1H3
InChIKeyDGAVASXODJKBDU-UHFFFAOYSA-N
XLogP6.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-[4-(5,5,15,15,22,25,25-heptamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)phenyl]-1-benzofuran
CID 59413380
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
CID 145031024
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
2-[3-[7-[4-(1-benzofuran-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-2-yl]phenyl]-1-benzofuran
CID 138646488
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)phenyl]-1-benzofuran?
The IUPAC name of 2-[4-(3-methylphenyl)phenyl]-1-benzofuran (CID 132966930) is 2-[4-(3-methylphenyl)phenyl]-1-benzofuran.
What is the SMILES notation for 2-[4-(3-methylphenyl)phenyl]-1-benzofuran?
The canonical SMILES for 2-[4-(3-methylphenyl)phenyl]-1-benzofuran is Cc1cccc(-c2ccc(-c3cc4ccccc4o3)cc2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)phenyl]-1-benzofuran?
The InChIKey is DGAVASXODJKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-15-5-4-7-18(13-15)16-9-11-17(12-10-16)21-14-19-6-2-3-8-20(19)22-21/h2-14H,1H3.
What are the key properties of 2-[4-(3-methylphenyl)phenyl]-1-benzofuran?
2-[4-(3-methylphenyl)phenyl]-1-benzofuran has a molecular weight of 284.36 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)phenyl]-1-benzofuran is sourced from PubChem (CID 132966930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).