2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol

C11H15ClOS — CID 106865510

IUPAC2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccc(CSC(C)CO)c(Cl)c1
InChIInChI=1S/C11H15ClOS/c1-8-3-4-10(11(12)5-8)7-14-9(2)6-13/h3-5,9,13H,6-7H2,1-2H3
InChIKeyCEHIZDKSERORBD-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol

2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol (PubChem CID 106865510) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol
PubChem CID106865510
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccc(CSC(C)CO)c(Cl)c1
InChIInChI=1S/C11H15ClOS/c1-8-3-4-10(11(12)5-8)7-14-9(2)6-13/h3-5,9,13H,6-7H2,1-2H3
InChIKeyCEHIZDKSERORBD-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 ≤ 500230.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(((4-Chlorophenyl)methyl)thio)ethanol
CID 198536
2-[2-(2-Chlorophenyl)ethylsulfonyl]ethanol
CID 71972662
3-[(2-Chloro-4-fluorophenyl)methylsulfanyl]propane-1,2-diol
CID 72105924
3-[(2,5-Dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 84585786
3-[2-(2-Chlorophenyl)ethylsulfanyl]propane-1,2-diol
CID 71924617
2,2'-((4-Chlorophenyl)methylene)bis(sulfanediyl)diethanol
CID 45276585
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]ethanol
CID 43416955
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]ethanol
CID 43416975
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]butan-1-ol
CID 65415999
3-[(2-Chloro-4-fluorophenyl)methylsulfanyl]butan-1-ol
CID 65417087
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]propan-1-ol
CID 65814734
3-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 65820274

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol (CID 106865510) is 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol is Cc1ccc(CSC(C)CO)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol?
The InChIKey is CEHIZDKSERORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-8-3-4-10(11(12)5-8)7-14-9(2)6-13/h3-5,9,13H,6-7H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol?
2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol has a molecular weight of 230.76 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 2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 106865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).