5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan

C24H19BrO — CID 71317707

IUPAC5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19BrO/c1-16-3-7-18(8-4-16)22-15-23(19-11-13-21(25)14-12-19)26-24(22)20-9-5-17(2)6-10-20/h3-15H,1-2H3
InChIKeyUXNPORCYTBAHMV-UHFFFAOYSA-N
MW403.32 g/mol
LogP7.66
Rot. Bonds3

About 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan

5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan (PubChem CID 71317707) has the molecular formula C24H19BrO and a molecular weight of 403.32 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
PubChem CID71317707
Molecular FormulaC24H19BrO
Molecular Weight403.32 g/mol
Exact Mass402.06
IUPAC Name5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19BrO/c1-16-3-7-18(8-4-16)22-15-23(19-11-13-21(25)14-12-19)26-24(22)20-9-5-17(2)6-10-20/h3-15H,1-2H3
InChIKeyUXNPORCYTBAHMV-UHFFFAOYSA-N
XLogP7.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan?
The IUPAC name of 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan (CID 71317707) is 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan.
What is the SMILES notation for 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan?
The canonical SMILES for 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan is Cc1ccc(-c2cc(-c3ccc(Br)cc3)oc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan?
The InChIKey is UXNPORCYTBAHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrO/c1-16-3-7-18(8-4-16)22-15-23(19-11-13-21(25)14-12-19)26-24(22)20-9-5-17(2)6-10-20/h3-15H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan?
5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan has a molecular weight of 403.32 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan is sourced from PubChem (CID 71317707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).