(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol

C13H17FOS — CID 106881138

IUPAC(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCCS2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-8-6-9(2)12(10(14)7-8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3
InChIKeyAEQOPUXQVJKMHN-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.37
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol

(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol (PubChem CID 106881138) has the molecular formula C13H17FOS and a molecular weight of 240.34 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol
PubChem CID106881138
Molecular FormulaC13H17FOS
Molecular Weight240.34 g/mol
Exact Mass240.10
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCCS2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-8-6-9(2)12(10(14)7-8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3
InChIKeyAEQOPUXQVJKMHN-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4,6-dimethylphenyl)-(thiolan-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-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
CID 80622075
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
(2-fluoro-4,6-dimethylphenyl)-(1-methoxycyclohexyl)methanol
CID 106881183
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881223
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
[1-(dimethylamino)cyclopentyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881107
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol (CID 106881138) is (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol is Cc1cc(C)c(C(O)C2CCCS2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol?
The InChIKey is AEQOPUXQVJKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FOS/c1-8-6-9(2)12(10(14)7-8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol has a molecular weight of 240.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 106881138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).