2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol

C16H24OS2 — CID 115386430

IUPAC2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
SMILESCCC1SCCSC1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24OS2/c1-4-15-16(19-6-5-18-15)14(17)10-13-8-11(2)7-12(3)9-13/h7-9,14-17H,4-6,10H2,1-3H3
InChIKeyRJRSONZDKSKNMR-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.83
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol

2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol (PubChem CID 115386430) has the molecular formula C16H24OS2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
PubChem CID115386430
Molecular FormulaC16H24OS2
Molecular Weight296.50 g/mol
Exact Mass296.13
IUPAC Name2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
SMILESCCC1SCCSC1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24OS2/c1-4-15-16(19-6-5-18-15)14(17)10-13-8-11(2)7-12(3)9-13/h7-9,14-17H,4-6,10H2,1-3H3
InChIKeyRJRSONZDKSKNMR-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol 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

1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115386438
2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386317
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115386529
1-(3-ethyl-1,4-dithian-2-yl)-4,4,4-trifluorobutan-1-ol
CID 115386461
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)ethanol
CID 64776027
(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
CID 115386492
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831517
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387941
1-(2,3-dihydro-1H-inden-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 65410774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol (CID 115386430) is 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol is CCC1SCCSC1C(O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
The InChIKey is RJRSONZDKSKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS2/c1-4-15-16(19-6-5-18-15)14(17)10-13-8-11(2)7-12(3)9-13/h7-9,14-17H,4-6,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol is sourced from PubChem (CID 115386430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).