(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol

C12H14ClFOS — CID 105397588

IUPAC(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cc(F)ccc2Cl)CCCS1
InChIInChI=1S/C12H14ClFOS/c1-12(5-2-6-16-12)11(15)9-7-8(14)3-4-10(9)13/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyMXAHRIOOFJTMHW-UHFFFAOYSA-N
MW260.76 g/mol
LogP3.80
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol

(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol (PubChem CID 105397588) has the molecular formula C12H14ClFOS and a molecular weight of 260.76 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
PubChem CID105397588
Molecular FormulaC12H14ClFOS
Molecular Weight260.76 g/mol
Exact Mass260.04
IUPAC Name(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cc(F)ccc2Cl)CCCS1
InChIInChI=1S/C12H14ClFOS/c1-12(5-2-6-16-12)11(15)9-7-8(14)3-4-10(9)13/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyMXAHRIOOFJTMHW-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105079871
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(2-chloro-5-fluorophenyl)-(1-phenylcyclopropyl)methanol
CID 105394462
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
1-(2-chloro-4-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723574
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
CID 80722671
2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol (CID 105397588) is (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol is CC1(C(O)c2cc(F)ccc2Cl)CCCS1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
The InChIKey is MXAHRIOOFJTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFOS/c1-12(5-2-6-16-12)11(15)9-7-8(14)3-4-10(9)13/h3-4,7,11,15H,2,5-6H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol?
(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol has a molecular weight of 260.76 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol is sourced from PubChem (CID 105397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).