4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde

C17H15FO2 — CID 107689678

IUPAC4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C17H15FO2/c18-16-9-12(10-19)5-7-17(16)20-11-13-4-6-14-2-1-3-15(14)8-13/h4-10H,1-3,11H2
InChIKeyCMPGIKWGARBQML-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.71
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde

4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde (PubChem CID 107689678) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
PubChem CID107689678
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C17H15FO2/c18-16-9-12(10-19)5-7-17(16)20-11-13-4-6-14-2-1-3-15(14)8-13/h4-10H,1-3,11H2
InChIKeyCMPGIKWGARBQML-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde (CID 107689678) is 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde is O=Cc1ccc(OCc2ccc3c(c2)CCC3)c(F)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde?
The InChIKey is CMPGIKWGARBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-16-9-12(10-19)5-7-17(16)20-11-13-4-6-14-2-1-3-15(14)8-13/h4-10H,1-3,11H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde?
4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde has a molecular weight of 270.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 107689678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).