(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol

C8H8ClFOS — CID 146035055

IUPAC(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(CO)c(Cl)c1F
InChIInChI=1S/C8H8ClFOS/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3,11H,4H2,1H3
InChIKeyKVDFVULYZHISCY-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.69
Rot. Bonds2

About (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol

(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol (PubChem CID 146035055) has the molecular formula C8H8ClFOS and a molecular weight of 206.67 g/mol. Its IUPAC name is (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol
PubChem CID146035055
Molecular FormulaC8H8ClFOS
Molecular Weight206.67 g/mol
Exact Mass206.00
IUPAC Name(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(CO)c(Cl)c1F
InChIInChI=1S/C8H8ClFOS/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3,11H,4H2,1H3
InChIKeyKVDFVULYZHISCY-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol?
The IUPAC name of (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol (CID 146035055) is (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol is CSc1ccc(CO)c(Cl)c1F.
What is the InChIKey of (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol?
The InChIKey is KVDFVULYZHISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFOS/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3,11H,4H2,1H3.
What are the key properties of (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol?
(2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol has a molecular weight of 206.67 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 146035055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).