2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde

C16H10BrFO3 — CID 139560643

IUPAC2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCc1cc(Br)c2occc2c1
InChIInChI=1S/C16H10BrFO3/c17-13-7-10(6-11-4-5-20-16(11)13)9-21-15-3-1-2-14(18)12(15)8-19/h1-8H,9H2
InChIKeyIDHLULRELLNDLO-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.73
Rot. Bonds4

About 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde

2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde (PubChem CID 139560643) has the molecular formula C16H10BrFO3 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde
PubChem CID139560643
Molecular FormulaC16H10BrFO3
Molecular Weight349.16 g/mol
Exact Mass347.98
IUPAC Name2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCc1cc(Br)c2occc2c1
InChIInChI=1S/C16H10BrFO3/c17-13-7-10(6-11-4-5-20-16(11)13)9-21-15-3-1-2-14(18)12(15)8-19/h1-8H,9H2
InChIKeyIDHLULRELLNDLO-UHFFFAOYSA-N
XLogP4.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
CID 175256545
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-methylphenyl]-N-methyl-1-methylsulfanylethenesulfonamide
CID 139561590
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-(trifluoromethyl)phenyl]-N-methyl-1-methylsulfanylethenesulfonamide
CID 139561489
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-(methanesulfonamidomethyl)phenyl]acetic acid
CID 175256538
(E)-2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4,5-dimethylphenyl]-N-methyl-1-methylsulfanylethenesulfonamide
CID 139561607
7-bromo-5-[[2-(2-methylsulfinylethenyl)-5-propan-2-ylphenoxy]methyl]-1-benzofuran
CID 175480091
CID 153350524
CID 153350524
7-bromo-5-ethyl-1-benzofuran
CID 84689558
(E)-2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-(trifluoromethyl)phenyl]-N-methyl-1-methylsulfanylethenesulfonamide
CID 139561507
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3-methylphenyl]acetate;hexane
CID 139561372
7-bromo-5-[[4,5-dimethyl-2-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]phenoxy]methyl]-1-benzofuran
CID 139576520
2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
CID 114065202

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde?
The IUPAC name of 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde (CID 139560643) is 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde.
What is the SMILES notation for 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde?
The canonical SMILES for 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde is O=Cc1c(F)cccc1OCc1cc(Br)c2occc2c1.
What is the InChIKey of 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde?
The InChIKey is IDHLULRELLNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO3/c17-13-7-10(6-11-4-5-20-16(11)13)9-21-15-3-1-2-14(18)12(15)8-19/h1-8H,9H2.
What are the key properties of 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde?
2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde has a molecular weight of 349.16 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1-benzofuran-5-yl)methoxy]-6-fluorobenzaldehyde is sourced from PubChem (CID 139560643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).