7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran

C14H19BrO3 — CID 59494360

IUPAC7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran
SMILESCCc1cc(OCCCOC)c2c(c1Br)OCC2
InChIInChI=1S/C14H19BrO3/c1-3-10-9-12(17-7-4-6-16-2)11-5-8-18-14(11)13(10)15/h9H,3-8H2,1-2H3
InChIKeyKXLBOERUCYTMGC-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.36
Rot. Bonds6

About 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran

7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran (PubChem CID 59494360) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran
PubChem CID59494360
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran
SMILESCCc1cc(OCCCOC)c2c(c1Br)OCC2
InChIInChI=1S/C14H19BrO3/c1-3-10-9-12(17-7-4-6-16-2)11-5-8-18-14(11)13(10)15/h9H,3-8H2,1-2H3
InChIKeyKXLBOERUCYTMGC-UHFFFAOYSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran (CID 59494360) is 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran is CCc1cc(OCCCOC)c2c(c1Br)OCC2.
What is the InChIKey of 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran?
The InChIKey is KXLBOERUCYTMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-3-10-9-12(17-7-4-6-16-2)11-5-8-18-14(11)13(10)15/h9H,3-8H2,1-2H3.
What are the key properties of 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran?
7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran has a molecular weight of 315.21 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 59494360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).