2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan

C15H16Br2O — CID 106855573

IUPAC2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan
SMILESCC(C)(C)c1ccc(C(Br)c2ccoc2Br)cc1
InChIInChI=1S/C15H16Br2O/c1-15(2,3)11-6-4-10(5-7-11)13(16)12-8-9-18-14(12)17/h4-9,13H,1-3H3
InChIKeyKEZGUCNZTCAMOD-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.82
Rot. Bonds2

About 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan

2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan (PubChem CID 106855573) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan
PubChem CID106855573
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan
SMILESCC(C)(C)c1ccc(C(Br)c2ccoc2Br)cc1
InChIInChI=1S/C15H16Br2O/c1-15(2,3)11-6-4-10(5-7-11)13(16)12-8-9-18-14(12)17/h4-9,13H,1-3H3
InChIKeyKEZGUCNZTCAMOD-UHFFFAOYSA-N
XLogP5.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]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

(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
CID 106851486
2-bromo-3-[(4-tert-butylphenyl)-chloromethyl]furan
CID 106855489
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
CID 106857415
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863049
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-fluorobenzene
CID 63440141
2-bromo-3-[bromo-(2,3,4-trimethoxyphenyl)methyl]furan
CID 106855607
3-[bromo-(4-ethylphenyl)methyl]-2-methylfuran
CID 63440285
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
CID 106859599
1-(1-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63440017
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]furan
CID 66259979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan?
The IUPAC name of 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan (CID 106855573) is 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan is CC(C)(C)c1ccc(C(Br)c2ccoc2Br)cc1.
What is the InChIKey of 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan?
The InChIKey is KEZGUCNZTCAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-15(2,3)11-6-4-10(5-7-11)13(16)12-8-9-18-14(12)17/h4-9,13H,1-3H3.
What are the key properties of 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan?
2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan has a molecular weight of 372.10 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan is sourced from PubChem (CID 106855573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).