4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde

C17H15FO3 — CID 102670873

IUPAC4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCCc2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C17H15FO3/c18-15-10-13(11-19)2-4-17(15)21-7-5-12-1-3-16-14(9-12)6-8-20-16/h1-4,9-11H,5-8H2
InChIKeyDBSXJWCKNGMDEG-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.19
Rot. Bonds5

About 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde

4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde (PubChem CID 102670873) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
PubChem CID102670873
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCCc2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C17H15FO3/c18-15-10-13(11-19)2-4-17(15)21-7-5-12-1-3-16-14(9-12)6-8-20-16/h1-4,9-11H,5-8H2
InChIKeyDBSXJWCKNGMDEG-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.19
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-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
CID 107689678
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde (CID 102670873) is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde is O=Cc1ccc(OCCc2ccc3c(c2)CCO3)c(F)c1.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde?
The InChIKey is DBSXJWCKNGMDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c18-15-10-13(11-19)2-4-17(15)21-7-5-12-1-3-16-14(9-12)6-8-20-16/h1-4,9-11H,5-8H2.
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde?
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde has a molecular weight of 286.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 102670873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).