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'}

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Related Compounds

3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
1-[6-(3-methoxypropoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 55011917
[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol
CID 59494852
6-[2-(3-methoxypropoxy)ethoxy]-1,3-benzodioxole-5-carboxylic acid
CID 103179970
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2-methoxyethoxy)propan-2-one
CID 114032554
N-[(7-bromo-4-propyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propan-1-amine
CID 126583192
2-(4-bromo-5-methyl-2,3-dihydro-1-benzofuran-7-yl)acetamide
CID 175908737
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
ethyl 4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 59494122
2-bromo-4-methoxy-5-(3-methoxypropoxy)phenol
CID 139466159

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).