3-(4-bromophenyl)furan

C10H7BrO — CID 90487852

IUPAC3-(4-bromophenyl)furan
SMILESBrc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H7BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H
InChIKeySDKJDQLEFMMXET-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.71
Rot. Bonds1

About 3-(4-bromophenyl)furan

3-(4-bromophenyl)furan (PubChem CID 90487852) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)furan.

Molecular Properties

Compound Name3-(4-bromophenyl)furan
PubChem CID90487852
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name3-(4-bromophenyl)furan
SMILESBrc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H7BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H
InChIKeySDKJDQLEFMMXET-UHFFFAOYSA-N
XLogP3.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)furan?
The IUPAC name of 3-(4-bromophenyl)furan (CID 90487852) is 3-(4-bromophenyl)furan.
What is the SMILES notation for 3-(4-bromophenyl)furan?
The canonical SMILES for 3-(4-bromophenyl)furan is Brc1ccc(-c2ccoc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)furan?
The InChIKey is SDKJDQLEFMMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H.
What are the key properties of 3-(4-bromophenyl)furan?
3-(4-bromophenyl)furan has a molecular weight of 223.07 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)furan is sourced from PubChem (CID 90487852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).