(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

C13H17FO3 — CID 104948064

IUPAC(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13?/m0/s1
InChIKeyFUSFWFXQEFHAAU-AMGKYWFPSA-N
MW240.27 g/mol
LogP2.44
Rot. Bonds3

About (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104948064) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104948064
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO3/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13?/m0/s1
InChIKeyFUSFWFXQEFHAAU-AMGKYWFPSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
CID 114276167
(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104949160
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041
(4S)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949004

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 104948064) is (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is COCCC1(C)C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is FUSFWFXQEFHAAU-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H17FO3/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 240.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104948064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).