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

C15H17BrO2 — CID 83068075

IUPAC3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
SMILESCOc1c(C)cc(C(Br)c2ccoc2C)cc1C
InChIInChI=1S/C15H17BrO2/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-5-6-18-11(13)3/h5-8,14H,1-4H3
InChIKeyMEBNQKHRSLDVAP-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.70
Rot. Bonds3

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

3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran (PubChem CID 83068075) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
PubChem CID83068075
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
SMILESCOc1c(C)cc(C(Br)c2ccoc2C)cc1C
InChIInChI=1S/C15H17BrO2/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-5-6-18-11(13)3/h5-8,14H,1-4H3
InChIKeyMEBNQKHRSLDVAP-UHFFFAOYSA-N
XLogP4.70
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(2-ethoxyphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83047614
3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
CID 61096737
3-[bromo-(2,3,5,6-tetramethylphenyl)methyl]-2-methylfuran
CID 63442086
5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068657
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
3-[bromo-(4-ethylphenyl)methyl]-2-methylfuran
CID 63440285
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
3-[bromo-[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methylfuran
CID 104662353
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran (CID 83068075) is 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran is COc1c(C)cc(C(Br)c2ccoc2C)cc1C.
What is the InChIKey of 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran?
The InChIKey is MEBNQKHRSLDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-9-7-12(8-10(2)15(9)17-4)14(16)13-5-6-18-11(13)3/h5-8,14H,1-4H3.
What are the key properties of 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran?
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran has a molecular weight of 309.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 83068075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).