1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol

C14H18Cl2OS — CID 107312531

IUPAC1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1Cl)CC1CCSCC1
InChIInChI=1S/C14H18Cl2OS/c15-13-3-1-2-11(14(13)16)9-12(17)8-10-4-6-18-7-5-10/h1-3,10,12,17H,4-9H2
InChIKeyGUTKWMVDFLEJMT-UHFFFAOYSA-N
MW305.27 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol

1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol (PubChem CID 107312531) has the molecular formula C14H18Cl2OS and a molecular weight of 305.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
PubChem CID107312531
Molecular FormulaC14H18Cl2OS
Molecular Weight305.27 g/mol
Exact Mass304.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1Cl)CC1CCSCC1
InChIInChI=1S/C14H18Cl2OS/c15-13-3-1-2-11(14(13)16)9-12(17)8-10-4-6-18-7-5-10/h1-3,10,12,17H,4-9H2
InChIKeyGUTKWMVDFLEJMT-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol (CID 107312531) is 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol is OC(Cc1cccc(Cl)c1Cl)CC1CCSCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is GUTKWMVDFLEJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2OS/c15-13-3-1-2-11(14(13)16)9-12(17)8-10-4-6-18-7-5-10/h1-3,10,12,17H,4-9H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol?
1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 305.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 107312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).