1-(4-bromophenyl)-3-phenyl-2-benzofuran

C20H13BrO — CID 59538643

IUPAC1-(4-bromophenyl)-3-phenyl-2-benzofuran
SMILESBrc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H13BrO/c21-16-12-10-15(11-13-16)20-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13H
InChIKeyJSUCPIPHSJQUKR-UHFFFAOYSA-N
MW349.23 g/mol
LogP6.53
Rot. Bonds2

About 1-(4-bromophenyl)-3-phenyl-2-benzofuran

1-(4-bromophenyl)-3-phenyl-2-benzofuran (PubChem CID 59538643) has the molecular formula C20H13BrO and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenyl-2-benzofuran.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenyl-2-benzofuran
PubChem CID59538643
Molecular FormulaC20H13BrO
Molecular Weight349.23 g/mol
Exact Mass348.01
IUPAC Name1-(4-bromophenyl)-3-phenyl-2-benzofuran
SMILESBrc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H13BrO/c21-16-12-10-15(11-13-16)20-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13H
InChIKeyJSUCPIPHSJQUKR-UHFFFAOYSA-N
XLogP6.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
5-(4-bromophenyl)-3-methyl-2-phenylfuran
CID 132549906
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
5,7-diphenylfuro[3,4-d]pyridazine
CID 13205314
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
CID 102498610
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
3,8-dibromo-2-phenylchromen-4-one
CID 91664816
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
1-tert-butyl-3-phenyl-2-benzofuran
CID 13213879

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenyl-2-benzofuran?
The IUPAC name of 1-(4-bromophenyl)-3-phenyl-2-benzofuran (CID 59538643) is 1-(4-bromophenyl)-3-phenyl-2-benzofuran.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenyl-2-benzofuran?
The canonical SMILES for 1-(4-bromophenyl)-3-phenyl-2-benzofuran is Brc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-phenyl-2-benzofuran?
The InChIKey is JSUCPIPHSJQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO/c21-16-12-10-15(11-13-16)20-18-9-5-4-8-17(18)19(22-20)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-(4-bromophenyl)-3-phenyl-2-benzofuran?
1-(4-bromophenyl)-3-phenyl-2-benzofuran has a molecular weight of 349.23 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenyl-2-benzofuran is sourced from PubChem (CID 59538643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).