3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan

C13H13BrO2 — CID 63018381

IUPAC3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
SMILESCOc1ccccc1CC(Br)c1ccoc1
InChIInChI=1S/C13H13BrO2/c1-15-13-5-3-2-4-10(13)8-12(14)11-6-7-16-9-11/h2-7,9,12H,8H2,1H3
InChIKeyUIPGUYIWBKIKCB-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.97
Rot. Bonds4

About 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan

3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan (PubChem CID 63018381) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan.

Molecular Properties

Compound Name3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
PubChem CID63018381
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
SMILESCOc1ccccc1CC(Br)c1ccoc1
InChIInChI=1S/C13H13BrO2/c1-15-13-5-3-2-4-10(13)8-12(14)11-6-7-16-9-11/h2-7,9,12H,8H2,1H3
InChIKeyUIPGUYIWBKIKCB-UHFFFAOYSA-N
XLogP3.97
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719
1-(furan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 113259789
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
CID 83182238
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,3,4-trifluorobenzene
CID 79756553
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
2-(furan-3-ylmethyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 83182797
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
[2-(bromomethyl)-3-(2-methoxyphenyl)propyl]-trimethylsilane
CID 106324211
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan?
The IUPAC name of 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan (CID 63018381) is 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan.
What is the SMILES notation for 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan?
The canonical SMILES for 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan is COc1ccccc1CC(Br)c1ccoc1.
What is the InChIKey of 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan?
The InChIKey is UIPGUYIWBKIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-15-13-5-3-2-4-10(13)8-12(14)11-6-7-16-9-11/h2-7,9,12H,8H2,1H3.
What are the key properties of 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan?
3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan has a molecular weight of 281.15 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan is sourced from PubChem (CID 63018381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).