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

C14H15BrO3 — CID 61096008

IUPAC2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
SMILESCOc1cc(C)c(C(Br)c2ccco2)cc1OC
InChIInChI=1S/C14H15BrO3/c1-9-7-12(16-2)13(17-3)8-10(9)14(15)11-5-4-6-18-11/h4-8,14H,1-3H3
InChIKeyTVBJEGNVFRTZLC-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.09
Rot. Bonds4

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

2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan (PubChem CID 61096008) has the molecular formula C14H15BrO3 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan.

Molecular Properties

Compound Name2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
PubChem CID61096008
Molecular FormulaC14H15BrO3
Molecular Weight311.18 g/mol
Exact Mass310.02
IUPAC Name2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
SMILESCOc1cc(C)c(C(Br)c2ccco2)cc1OC
InChIInChI=1S/C14H15BrO3/c1-9-7-12(16-2)13(17-3)8-10(9)14(15)11-5-4-6-18-11/h4-8,14H,1-3H3
InChIKeyTVBJEGNVFRTZLC-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

1-[bromo-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443435
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 62867118
3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 61096009
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
2,5-dibromo-3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 107964738

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan?
The IUPAC name of 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan (CID 61096008) is 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan.
What is the SMILES notation for 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan?
The canonical SMILES for 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan is COc1cc(C)c(C(Br)c2ccco2)cc1OC.
What is the InChIKey of 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan?
The InChIKey is TVBJEGNVFRTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c1-9-7-12(16-2)13(17-3)8-10(9)14(15)11-5-4-6-18-11/h4-8,14H,1-3H3.
What are the key properties of 2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan?
2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan 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-(4,5-dimethoxy-2-methylphenyl)methyl]furan is sourced from PubChem (CID 61096008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).