(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H13FO2S — CID 104948253

IUPAC(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccsc1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C14H13FO2S/c1-8-4-5-18-14(8)13-7-11(16)10-6-9(15)2-3-12(10)17-13/h2-6,11,13,16H,7H2,1H3/t11-,13?/m1/s1
InChIKeyJKOAZSXSGKZRFS-JTDNENJMSA-N
MW264.32 g/mol
LogP3.75
Rot. Bonds1

About (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948253) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948253
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccsc1C1C[C@@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C14H13FO2S/c1-8-4-5-18-14(8)13-7-11(16)10-6-9(15)2-3-12(10)17-13/h2-6,11,13,16H,7H2,1H3/t11-,13?/m1/s1
InChIKeyJKOAZSXSGKZRFS-JTDNENJMSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949769
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714166
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(4S)-6-bromo-2-(3-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951117
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948099
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948253) is (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccsc1C1C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JKOAZSXSGKZRFS-JTDNENJMSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-8-4-5-18-14(8)13-7-11(16)10-6-9(15)2-3-12(10)17-13/h2-6,11,13,16H,7H2,1H3/t11-,13?/m1/s1.
What are the key properties of (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 264.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).