7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol

C13H15FO3 — CID 114715803

IUPAC7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCOC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-1-2-10-11(15)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5,8,11-12,15H,3-4,6-7H2
InChIKeyHQMQUYDGZLBDEV-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.05
Rot. Bonds1

About 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol

7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715803) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715803
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CCOC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-1-2-10-11(15)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5,8,11-12,15H,3-4,6-7H2
InChIKeyHQMQUYDGZLBDEV-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715803) is 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CCOC2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HQMQUYDGZLBDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-9-1-2-10-11(15)6-12(17-13(10)5-9)8-3-4-16-7-8/h1-2,5,8,11-12,15H,3-4,6-7H2.
What are the key properties of 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 238.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).