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

C14H15BrO3 — CID 61096479

IUPAC2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
SMILESCOc1ccc(OC)c(C(Br)c2occc2C)c1
InChIInChI=1S/C14H15BrO3/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8,13H,1-3H3
InChIKeyFLOFGMHKNOACGR-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.09
Rot. Bonds4

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

2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran (PubChem CID 61096479) has the molecular formula C14H15BrO3 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
PubChem CID61096479
Molecular FormulaC14H15BrO3
Molecular Weight311.18 g/mol
Exact Mass310.02
IUPAC Name2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
SMILESCOc1ccc(OC)c(C(Br)c2occc2C)c1
InChIInChI=1S/C14H15BrO3/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8,13H,1-3H3
InChIKeyFLOFGMHKNOACGR-UHFFFAOYSA-N
XLogP4.09
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.09
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-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylfuran
CID 61082512
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran
CID 63439761

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran?
The IUPAC name of 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran (CID 61096479) is 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran?
The canonical SMILES for 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran is COc1ccc(OC)c(C(Br)c2occc2C)c1.
What is the InChIKey of 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran?
The InChIKey is FLOFGMHKNOACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8,13H,1-3H3.
What are the key properties of 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran?
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran has a molecular weight of 311.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran is sourced from PubChem (CID 61096479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).