ethane;(3-fluoro-5-methylsulfanylphenyl)methanol

C10H15FOS — CID 176708599

IUPACethane;(3-fluoro-5-methylsulfanylphenyl)methanol
SMILESCC.CSc1cc(F)cc(CO)c1
InChIInChI=1S/C8H9FOS.C2H6/c1-11-8-3-6(5-10)2-7(9)4-8;1-2/h2-4,10H,5H2,1H3;1-2H3
InChIKeyDRBLBQBERWDTQR-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.07
Rot. Bonds2

About ethane;(3-fluoro-5-methylsulfanylphenyl)methanol

ethane;(3-fluoro-5-methylsulfanylphenyl)methanol (PubChem CID 176708599) has the molecular formula C10H15FOS and a molecular weight of 202.29 g/mol. Its IUPAC name is ethane;(3-fluoro-5-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Nameethane;(3-fluoro-5-methylsulfanylphenyl)methanol
PubChem CID176708599
Molecular FormulaC10H15FOS
Molecular Weight202.29 g/mol
Exact Mass202.08
IUPAC Nameethane;(3-fluoro-5-methylsulfanylphenyl)methanol
SMILESCC.CSc1cc(F)cc(CO)c1
InChIInChI=1S/C8H9FOS.C2H6/c1-11-8-3-6(5-10)2-7(9)4-8;1-2/h2-4,10H,5H2,1H3;1-2H3
InChIKeyDRBLBQBERWDTQR-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylsulfanylphenyl)methanol
CID 84661794
1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
CID 118804158
methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
CID 106533869
(3-cyclopentylsulfanyl-5-fluorophenyl)methanol
CID 106533898
[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
CID 106533853
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783563
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
CID 170497350
[3-fluoro-5-(3-fluorophenyl)phenyl]methanol
CID 46312406

Frequently Asked Questions

What is the IUPAC name of ethane;(3-fluoro-5-methylsulfanylphenyl)methanol?
The IUPAC name of ethane;(3-fluoro-5-methylsulfanylphenyl)methanol (CID 176708599) is ethane;(3-fluoro-5-methylsulfanylphenyl)methanol.
What is the SMILES notation for ethane;(3-fluoro-5-methylsulfanylphenyl)methanol?
The canonical SMILES for ethane;(3-fluoro-5-methylsulfanylphenyl)methanol is CC.CSc1cc(F)cc(CO)c1.
What is the InChIKey of ethane;(3-fluoro-5-methylsulfanylphenyl)methanol?
The InChIKey is DRBLBQBERWDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS.C2H6/c1-11-8-3-6(5-10)2-7(9)4-8;1-2/h2-4,10H,5H2,1H3;1-2H3.
What are the key properties of ethane;(3-fluoro-5-methylsulfanylphenyl)methanol?
ethane;(3-fluoro-5-methylsulfanylphenyl)methanol has a molecular weight of 202.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-fluoro-5-methylsulfanylphenyl)methanol is sourced from PubChem (CID 176708599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).