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

C14H14Br2O3 — CID 61096737

IUPAC3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
SMILESCOc1cc(Br)c(C(Br)c2ccoc2C)cc1OC
InChIInChI=1S/C14H14Br2O3/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14H,1-3H3
InChIKeyNDGZPHHBZRYONI-UHFFFAOYSA-N
MW390.07 g/mol
LogP4.85
Rot. Bonds4

About 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran

3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran (PubChem CID 61096737) has the molecular formula C14H14Br2O3 and a molecular weight of 390.07 g/mol. Its IUPAC name is 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
PubChem CID61096737
Molecular FormulaC14H14Br2O3
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
SMILESCOc1cc(Br)c(C(Br)c2ccoc2C)cc1OC
InChIInChI=1S/C14H14Br2O3/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14H,1-3H3
InChIKeyNDGZPHHBZRYONI-UHFFFAOYSA-N
XLogP4.85
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.07
LogP ≤ 54.85
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-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
CID 83068075
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
3-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-2-methylfuran
CID 63017419
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
2,5-dibromo-3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964666
1-bromo-2-[bromo-(4-iodophenyl)methyl]-4,5-dimethoxybenzene
CID 63440645
3-[bromo-[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methylfuran
CID 104662353

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran (CID 61096737) is 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran is COc1cc(Br)c(C(Br)c2ccoc2C)cc1OC.
What is the InChIKey of 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran?
The InChIKey is NDGZPHHBZRYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O3/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14H,1-3H3.
What are the key properties of 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran?
3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran has a molecular weight of 390.07 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 61096737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).