(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H17FO3 — CID 104951765

IUPAC(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2C[C@@H](O)c3ccc(F)cc3O2)O1
InChIInChI=1S/C14H17FO3/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14,16H,2,5,7H2,1H3/t8?,11-,12?,14?/m1/s1
InChIKeyXIJHQDZYGUOHRW-CNOLRNJVSA-N
MW252.28 g/mol
LogP2.58
Rot. Bonds1

About (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951765) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951765
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCC(C2C[C@@H](O)c3ccc(F)cc3O2)O1
InChIInChI=1S/C14H17FO3/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14,16H,2,5,7H2,1H3/t8?,11-,12?,14?/m1/s1
InChIKeyXIJHQDZYGUOHRW-CNOLRNJVSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710240
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714609
(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951928
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 122235955
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104951765) is (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is CC1CCC(C2C[C@@H](O)c3ccc(F)cc3O2)O1.
What is the InChIKey of (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XIJHQDZYGUOHRW-CNOLRNJVSA-N. The full InChI is InChI=1S/C14H17FO3/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14,16H,2,5,7H2,1H3/t8?,11-,12?,14?/m1/s1.
What are the key properties of (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 252.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).