1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol

C10H12Cl2OS — CID 107308125

IUPAC1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2OS/c1-14-6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8,13H,5-6H2,1H3
InChIKeyVMRRJOCEPFCBRE-UHFFFAOYSA-N
MW251.18 g/mol
LogP3.26
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol

1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol (PubChem CID 107308125) has the molecular formula C10H12Cl2OS and a molecular weight of 251.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
PubChem CID107308125
Molecular FormulaC10H12Cl2OS
Molecular Weight251.18 g/mol
Exact Mass250.00
IUPAC Name1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2OS/c1-14-6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8,13H,5-6H2,1H3
InChIKeyVMRRJOCEPFCBRE-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
2-(2,3-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanol
CID 107308138

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol (CID 107308125) is 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol is CSCC(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol?
The InChIKey is VMRRJOCEPFCBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2OS/c1-14-6-8(13)5-7-3-2-4-9(11)10(7)12/h2-4,8,13H,5-6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol?
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol has a molecular weight of 251.18 g/mol, XLogP of 3.26, 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-methylsulfanylpropan-2-ol is sourced from PubChem (CID 107308125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).