[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol

C14H12Cl2OS — CID 113371994

IUPAC[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2OS/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-7,17H,8-9H2
InChIKeyJFQATZBWOQWNEP-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.78
Rot. Bonds4

About [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol

[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol (PubChem CID 113371994) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
PubChem CID113371994
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl2OS/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-7,17H,8-9H2
InChIKeyJFQATZBWOQWNEP-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol (CID 113371994) is [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol is OCc1ccc(SCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol?
The InChIKey is JFQATZBWOQWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-7,17H,8-9H2.
What are the key properties of [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol?
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol has a molecular weight of 299.22 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 113371994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).