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

C14H17FO3 — CID 104951928

IUPAC(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(C2CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13,16H,3-6,8H2/t12-,13?/m0/s1
InChIKeyPUYHAYQENISRAY-UEWDXFNNSA-N
MW252.28 g/mol
LogP2.44
Rot. Bonds1

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

(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951928) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951928
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(C2CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C14H17FO3/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13,16H,3-6,8H2/t12-,13?/m0/s1
InChIKeyPUYHAYQENISRAY-UEWDXFNNSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951765
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
7-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 122235955
2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715178

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104951928) is (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(C2CCOCC2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PUYHAYQENISRAY-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H17FO3/c15-10-1-2-11-12(16)8-13(18-14(11)7-10)9-3-5-17-6-4-9/h1-2,7,9,12-13,16H,3-6,8H2/t12-,13?/m0/s1.
What are the key properties of (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 252.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).