(3-chloro-5-methylsulfanylphenyl)methanol

C8H9ClOS — CID 84661794

IUPAC(3-chloro-5-methylsulfanylphenyl)methanol
SMILESCSc1cc(Cl)cc(CO)c1
InChIInChI=1S/C8H9ClOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKeyKRXIPDOMJAYJIL-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.55
Rot. Bonds2

About (3-chloro-5-methylsulfanylphenyl)methanol

(3-chloro-5-methylsulfanylphenyl)methanol (PubChem CID 84661794) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (3-chloro-5-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylsulfanylphenyl)methanol
PubChem CID84661794
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(3-chloro-5-methylsulfanylphenyl)methanol
SMILESCSc1cc(Cl)cc(CO)c1
InChIInChI=1S/C8H9ClOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKeyKRXIPDOMJAYJIL-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylsulfanylphenyl)methanol?
The IUPAC name of (3-chloro-5-methylsulfanylphenyl)methanol (CID 84661794) is (3-chloro-5-methylsulfanylphenyl)methanol.
What is the SMILES notation for (3-chloro-5-methylsulfanylphenyl)methanol?
The canonical SMILES for (3-chloro-5-methylsulfanylphenyl)methanol is CSc1cc(Cl)cc(CO)c1.
What is the InChIKey of (3-chloro-5-methylsulfanylphenyl)methanol?
The InChIKey is KRXIPDOMJAYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3.
What are the key properties of (3-chloro-5-methylsulfanylphenyl)methanol?
(3-chloro-5-methylsulfanylphenyl)methanol has a molecular weight of 188.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylsulfanylphenyl)methanol is sourced from PubChem (CID 84661794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).