3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran

C14H13Br3O — CID 65152041

IUPAC3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Br)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C14H13Br3O/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,1-3H3
InChIKeyCUVRICLYGZUKPU-UHFFFAOYSA-N
MW436.97 g/mol
LogP6.21
Rot. Bonds2

About 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran

3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran (PubChem CID 65152041) has the molecular formula C14H13Br3O and a molecular weight of 436.97 g/mol. Its IUPAC name is 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran.

Molecular Properties

Compound Name3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
PubChem CID65152041
Molecular FormulaC14H13Br3O
Molecular Weight436.97 g/mol
Exact Mass433.85
IUPAC Name3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Br)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C14H13Br3O/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,1-3H3
InChIKeyCUVRICLYGZUKPU-UHFFFAOYSA-N
XLogP6.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 56.21
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

(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151889
6-bromo-7-[bromo-(2,4,5-trimethylfuran-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 65152583
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
3-[bromo-(2,4,5-trifluorophenyl)methyl]-2,4,5-trimethylfuran
CID 103304126
1-bromo-3-[bromo-(2,5-dibromophenyl)methyl]-4-methoxy-2,5-dimethylbenzene
CID 114375192
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
CID 107099130
3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran
CID 65152045
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
(2,5-dibromophenyl)-(5-methylfuran-2-yl)methanol
CID 61099394
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran?
The IUPAC name of 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran (CID 65152041) is 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran.
What is the SMILES notation for 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran?
The canonical SMILES for 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran is Cc1oc(C)c(C(Br)c2cc(Br)ccc2Br)c1C.
What is the InChIKey of 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran?
The InChIKey is CUVRICLYGZUKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br3O/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,1-3H3.
What are the key properties of 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran?
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran has a molecular weight of 436.97 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran is sourced from PubChem (CID 65152041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).