(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol

C14H12ClFOS — CID 168914330

IUPAC(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol
SMILESOCc1cc(Cl)cc(SCc2ccccc2)c1F
InChIInChI=1S/C14H12ClFOS/c15-12-6-11(8-17)14(16)13(7-12)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyXDZLKOOJGHMZKZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.26
Rot. Bonds4

About (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol

(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol (PubChem CID 168914330) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol
PubChem CID168914330
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol
SMILESOCc1cc(Cl)cc(SCc2ccccc2)c1F
InChIInChI=1S/C14H12ClFOS/c15-12-6-11(8-17)14(16)13(7-12)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyXDZLKOOJGHMZKZ-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol?
The IUPAC name of (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol (CID 168914330) is (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol is OCc1cc(Cl)cc(SCc2ccccc2)c1F.
What is the InChIKey of (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol?
The InChIKey is XDZLKOOJGHMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-12-6-11(8-17)14(16)13(7-12)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2.
What are the key properties of (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol?
(3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol has a molecular weight of 282.77 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylsulfanyl-5-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 168914330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).