4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol

C13H17FO2 — CID 83069804

IUPAC4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
SMILESCCCOCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C13H17FO2/c1-2-8-16-9-13(15)7-6-10-11(13)4-3-5-12(10)14/h3-5,15H,2,6-9H2,1H3
InChIKeyFDZDQFFKTZOMND-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.39
Rot. Bonds4

About 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol

4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol (PubChem CID 83069804) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
PubChem CID83069804
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
SMILESCCCOCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C13H17FO2/c1-2-8-16-9-13(15)7-6-10-11(13)4-3-5-12(10)14/h3-5,15H,2,6-9H2,1H3
InChIKeyFDZDQFFKTZOMND-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol (CID 83069804) is 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol is CCCOCC1(O)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol?
The InChIKey is FDZDQFFKTZOMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-8-16-9-13(15)7-6-10-11(13)4-3-5-12(10)14/h3-5,15H,2,6-9H2,1H3.
What are the key properties of 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).