2-bromo-5-[bromo-(4-butylphenyl)methyl]furan

C15H16Br2O — CID 63440007

IUPAC2-bromo-5-[bromo-(4-butylphenyl)methyl]furan
SMILESCCCCc1ccc(C(Br)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16Br2O/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-10-14(16)18-13/h5-10,15H,2-4H2,1H3
InChIKeyVYFBJCMVRFGPKC-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.87
Rot. Bonds5

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

2-bromo-5-[bromo-(4-butylphenyl)methyl]furan (PubChem CID 63440007) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-butylphenyl)methyl]furan
PubChem CID63440007
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name2-bromo-5-[bromo-(4-butylphenyl)methyl]furan
SMILESCCCCc1ccc(C(Br)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16Br2O/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-10-14(16)18-13/h5-10,15H,2-4H2,1H3
InChIKeyVYFBJCMVRFGPKC-UHFFFAOYSA-N
XLogP5.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.87
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-butylphenyl)methyl]-4-propylbenzene
CID 139632496
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
CID 63435879
1-[bromo-(4-butylphenyl)methyl]-4-iodobenzene
CID 63439744
1-bromo-4-[bromo-(4-butylphenyl)methyl]-2-chlorobenzene
CID 81307567
1-(1-bromo-2-ethylbutyl)-4-butylbenzene
CID 55199725
1-[bromo-(4-butylphenyl)methyl]-2-iodobenzene
CID 63440010
1-[bromo-(4-butylphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461369
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran
CID 106689058
1-[bromo-(4-butylphenyl)methyl]-2-methoxybenzene
CID 63440181
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan (CID 63440007) is 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan is CCCCc1ccc(C(Br)c2ccc(Br)o2)cc1.
What is the InChIKey of 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan?
The InChIKey is VYFBJCMVRFGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-10-14(16)18-13/h5-10,15H,2-4H2,1H3.
What are the key properties of 2-bromo-5-[bromo-(4-butylphenyl)methyl]furan?
2-bromo-5-[bromo-(4-butylphenyl)methyl]furan has a molecular weight of 372.10 g/mol, XLogP of 5.87, 5 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-butylphenyl)methyl]furan is sourced from PubChem (CID 63440007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).