(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol

C12H15FOS — CID 105078411

IUPAC(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cccc(F)c2)CCCS1
InChIInChI=1S/C12H15FOS/c1-12(6-3-7-15-12)11(14)9-4-2-5-10(13)8-9/h2,4-5,8,11,14H,3,6-7H2,1H3
InChIKeyVZOBCZBUUMWOAN-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.14
Rot. Bonds2

About (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol

(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol (PubChem CID 105078411) has the molecular formula C12H15FOS and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
PubChem CID105078411
Molecular FormulaC12H15FOS
Molecular Weight226.32 g/mol
Exact Mass226.08
IUPAC Name(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cccc(F)c2)CCCS1
InChIInChI=1S/C12H15FOS/c1-12(6-3-7-15-12)11(14)9-4-2-5-10(13)8-9/h2,4-5,8,11,14H,3,6-7H2,1H3
InChIKeyVZOBCZBUUMWOAN-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
CID 105102774
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105169976
2-(3-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080498
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol (CID 105078411) is (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol is CC1(C(O)c2cccc(F)c2)CCCS1.
What is the InChIKey of (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The InChIKey is VZOBCZBUUMWOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FOS/c1-12(6-3-7-15-12)11(14)9-4-2-5-10(13)8-9/h2,4-5,8,11,14H,3,6-7H2,1H3.
What are the key properties of (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol has a molecular weight of 226.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylthiolan-2-yl)methanol is sourced from PubChem (CID 105078411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).