2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol

C19H14ClFOS — CID 161223652

IUPAC2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol
SMILESCSc1ccccc1-c1cc(F)c(-c2ccccc2O)cc1Cl
InChIInChI=1S/C19H14ClFOS/c1-23-19-9-5-3-7-13(19)14-11-17(21)15(10-16(14)20)12-6-2-4-8-18(12)22/h2-11,22H,1H3
InChIKeyUTNJZTJIJPQPCQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP6.24
Rot. Bonds3

About 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol

2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol (PubChem CID 161223652) has the molecular formula C19H14ClFOS and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol.

Molecular Properties

Compound Name2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol
PubChem CID161223652
Molecular FormulaC19H14ClFOS
Molecular Weight344.84 g/mol
Exact Mass344.04
IUPAC Name2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol
SMILESCSc1ccccc1-c1cc(F)c(-c2ccccc2O)cc1Cl
InChIInChI=1S/C19H14ClFOS/c1-23-19-9-5-3-7-13(19)14-11-17(21)15(10-16(14)20)12-6-2-4-8-18(12)22/h2-11,22H,1H3
InChIKeyUTNJZTJIJPQPCQ-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol?
The IUPAC name of 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol (CID 161223652) is 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol.
What is the SMILES notation for 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol?
The canonical SMILES for 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol is CSc1ccccc1-c1cc(F)c(-c2ccccc2O)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol?
The InChIKey is UTNJZTJIJPQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFOS/c1-23-19-9-5-3-7-13(19)14-11-17(21)15(10-16(14)20)12-6-2-4-8-18(12)22/h2-11,22H,1H3.
What are the key properties of 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol?
2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol has a molecular weight of 344.84 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-fluoro-4-(2-methylsulfanylphenyl)phenyl]phenol is sourced from PubChem (CID 161223652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).