2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan

C13H11Br3O3 — CID 63440860

IUPAC2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
SMILESCOc1cc(Br)c(C(Br)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C13H11Br3O3/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6,13H,1-2H3
InChIKeyYSQCTQUYPXJYEF-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.31
Rot. Bonds4

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

2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan (PubChem CID 63440860) has the molecular formula C13H11Br3O3 and a molecular weight of 454.94 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
PubChem CID63440860
Molecular FormulaC13H11Br3O3
Molecular Weight454.94 g/mol
Exact Mass451.83
IUPAC Name2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
SMILESCOc1cc(Br)c(C(Br)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C13H11Br3O3/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6,13H,1-2H3
InChIKeyYSQCTQUYPXJYEF-UHFFFAOYSA-N
XLogP5.31
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
CID 105057068
3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
CID 61096737
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645
2,5-dibromo-3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964666
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
2-bromo-4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan (CID 63440860) is 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan is COc1cc(Br)c(C(Br)c2ccc(Br)o2)cc1OC.
What is the InChIKey of 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan?
The InChIKey is YSQCTQUYPXJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3O3/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6,13H,1-2H3.
What are the key properties of 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan?
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan has a molecular weight of 454.94 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan is sourced from PubChem (CID 63440860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).