5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol

C10H11FO2S — CID 145411131

IUPAC5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(S)ccc(F)c21
InChIInChI=1S/C10H11FO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3
InChIKeyZEIMRMKMNUCSTN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.10
Rot. Bonds

About 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol

5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol (PubChem CID 145411131) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
PubChem CID145411131
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(S)ccc(F)c21
InChIInChI=1S/C10H11FO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3
InChIKeyZEIMRMKMNUCSTN-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydro-4-methyl-2H-1-benzopyran-4-ol
CID 21596471
8-hydroxysulfanyl-3,4-dihydro-2H-chromene
CID 57105823
8-Thiochromane
CID 123990330
6-Fluoro-2,2-dimethylchroman-4-ol
CID 10867240
(s)-6-Fluoro-2,2-dimethylchroman-4-ol
CID 15366383
5,7-Difluoro-4-methyl-3,4-dihydro-2H-chromen-4-ol
CID 58392170
8-Fluoro-2,2-dimethyl-4-chromanol, AldrichCPR
CID 65721606
(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 68593892
7-Fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 68593893
(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 68594553
(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 68595137
6,8-Difluoro-4-methylchroman-4-ol
CID 70654576

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol (CID 145411131) is 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol is CC1(O)CCOc2c(S)ccc(F)c21.
What is the InChIKey of 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
The InChIKey is ZEIMRMKMNUCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-10(12)4-5-13-9-7(14)3-2-6(11)8(9)10/h2-3,12,14H,4-5H2,1H3.
What are the key properties of 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol?
5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol has a molecular weight of 214.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 145411131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).