2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol

C14H19ClOS2 — CID 103345206

IUPAC2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
SMILESCC1SCC(C(O)Cc2ccc(Cl)cc2)SC1C
InChIInChI=1S/C14H19ClOS2/c1-9-10(2)18-14(8-17-9)13(16)7-11-3-5-12(15)6-4-11/h3-6,9-10,13-14,16H,7-8H2,1-2H3
InChIKeyMXKXBSYOMDNFBO-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol

2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol (PubChem CID 103345206) has the molecular formula C14H19ClOS2 and a molecular weight of 302.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
PubChem CID103345206
Molecular FormulaC14H19ClOS2
Molecular Weight302.89 g/mol
Exact Mass302.06
IUPAC Name2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
SMILESCC1SCC(C(O)Cc2ccc(Cl)cc2)SC1C
InChIInChI=1S/C14H19ClOS2/c1-9-10(2)18-14(8-17-9)13(16)7-11-3-5-12(15)6-4-11/h3-6,9-10,13-14,16H,7-8H2,1-2H3
InChIKeyMXKXBSYOMDNFBO-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-(5,6-dimethyl-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-(5,6-dimethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanol
CID 103345099
2-(3-bromo-4-methoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345212
(4-chlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345442
2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345750
(5-chloro-2-methoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345211
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
(3,4-dichlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345266
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312
1-(5,6-dimethyl-1,4-dithian-2-yl)pent-4-yn-1-ol
CID 103345085
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol (CID 103345206) is 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol is CC1SCC(C(O)Cc2ccc(Cl)cc2)SC1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol?
The InChIKey is MXKXBSYOMDNFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClOS2/c1-9-10(2)18-14(8-17-9)13(16)7-11-3-5-12(15)6-4-11/h3-6,9-10,13-14,16H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol?
2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol has a molecular weight of 302.89 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol is sourced from PubChem (CID 103345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).