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

C18H12Br4O — CID 11489916

IUPAC3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan
SMILESBrCc1c(-c2cccc(Br)c2)oc(-c2cccc(Br)c2)c1CBr
InChIInChI=1S/C18H12Br4O/c19-9-15-16(10-20)18(12-4-2-6-14(22)8-12)23-17(15)11-3-1-5-13(21)7-11/h1-8H,9-10H2
InChIKeySXDBFLUXUQMYFS-UHFFFAOYSA-N
MW563.91 g/mol
LogP7.93
Rot. Bonds4

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

3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan (PubChem CID 11489916) has the molecular formula C18H12Br4O and a molecular weight of 563.91 g/mol. Its IUPAC name is 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan.

Molecular Properties

Compound Name3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan
PubChem CID11489916
Molecular FormulaC18H12Br4O
Molecular Weight563.91 g/mol
Exact Mass559.76
IUPAC Name3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan
SMILESBrCc1c(-c2cccc(Br)c2)oc(-c2cccc(Br)c2)c1CBr
InChIInChI=1S/C18H12Br4O/c19-9-15-16(10-20)18(12-4-2-6-14(22)8-12)23-17(15)11-3-1-5-13(21)7-11/h1-8H,9-10H2
InChIKeySXDBFLUXUQMYFS-UHFFFAOYSA-N
XLogP7.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.91
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan?
The IUPAC name of 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan (CID 11489916) is 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan.
What is the SMILES notation for 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan?
The canonical SMILES for 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan is BrCc1c(-c2cccc(Br)c2)oc(-c2cccc(Br)c2)c1CBr.
What is the InChIKey of 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan?
The InChIKey is SXDBFLUXUQMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br4O/c19-9-15-16(10-20)18(12-4-2-6-14(22)8-12)23-17(15)11-3-1-5-13(21)7-11/h1-8H,9-10H2.
What are the key properties of 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan?
3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan has a molecular weight of 563.91 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(bromomethyl)-2,5-bis(3-bromophenyl)furan is sourced from PubChem (CID 11489916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).