2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan

C15H16Br2O — CID 63435879

IUPAC2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
SMILESCC(C)Cc1ccc(C(Br)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16Br2O/c1-10(2)9-11-3-5-12(6-4-11)15(17)13-7-8-14(16)18-13/h3-8,10,15H,9H2,1-2H3
InChIKeyQDWVKYNLFVVPNT-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.72
Rot. Bonds4

About 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan

2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan (PubChem CID 63435879) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
PubChem CID63435879
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
SMILESCC(C)Cc1ccc(C(Br)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16Br2O/c1-10(2)9-11-3-5-12(6-4-11)15(17)13-7-8-14(16)18-13/h3-8,10,15H,9H2,1-2H3
InChIKeyQDWVKYNLFVVPNT-UHFFFAOYSA-N
XLogP5.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
2-bromo-5-(1-bromo-2-phenylethyl)furan
CID 63018566
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan (CID 63435879) is 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan is CC(C)Cc1ccc(C(Br)c2ccc(Br)o2)cc1.
What is the InChIKey of 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan?
The InChIKey is QDWVKYNLFVVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-10(2)9-11-3-5-12(6-4-11)15(17)13-7-8-14(16)18-13/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan?
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan has a molecular weight of 372.10 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan is sourced from PubChem (CID 63435879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).