2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan

C13H10BrClO — CID 79322171

IUPAC2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan
SMILESClc1ccc(-c2ccc(C=CCBr)o2)cc1
InChIInChI=1S/C13H10BrClO/c14-9-1-2-12-7-8-13(16-12)10-3-5-11(15)6-4-10/h1-8H,9H2
InChIKeyUZYBCKGJOLTXCS-UHFFFAOYSA-N
MW297.58 g/mol
LogP5.01
Rot. Bonds3

About 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan

2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan (PubChem CID 79322171) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan
PubChem CID79322171
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan
SMILESClc1ccc(-c2ccc(C=CCBr)o2)cc1
InChIInChI=1S/C13H10BrClO/c14-9-1-2-12-7-8-13(16-12)10-3-5-11(15)6-4-10/h1-8H,9H2
InChIKeyUZYBCKGJOLTXCS-UHFFFAOYSA-N
XLogP5.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine
CID 79347441
(E)-4-[5-(4-chlorophenyl)furan-2-yl]-N-methylbut-3-en-2-amine
CID 103092184
2-(3-bromoprop-1-enyl)-5-iodofuran
CID 169476773
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
N-[(4-bromophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3904939
2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
2-(4-chlorophenyl)-5-propylfuran
CID 91550346
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
3-[5-(4-chlorophenyl)furan-2-yl]-2-methyl-1-phenylprop-2-en-1-one
CID 3992867
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-methylthiourea
CID 87674944
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 3988299

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan?
The IUPAC name of 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan (CID 79322171) is 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan is Clc1ccc(-c2ccc(C=CCBr)o2)cc1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan?
The InChIKey is UZYBCKGJOLTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-9-1-2-12-7-8-13(16-12)10-3-5-11(15)6-4-10/h1-8H,9H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan?
2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan has a molecular weight of 297.58 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-5-(4-chlorophenyl)furan is sourced from PubChem (CID 79322171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).