2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol

C19H12Cl2F2O3S — CID 161081899

IUPAC2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2F2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2
InChIKeyYTLPCRKSKRVNAA-UHFFFAOYSA-N
MW429.27 g/mol
LogP5.62
Rot. Bonds4

About 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol

2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol (PubChem CID 161081899) has the molecular formula C19H12Cl2F2O3S and a molecular weight of 429.27 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
PubChem CID161081899
Molecular FormulaC19H12Cl2F2O3S
Molecular Weight429.27 g/mol
Exact Mass427.99
IUPAC Name2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2F2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2
InChIKeyYTLPCRKSKRVNAA-UHFFFAOYSA-N
XLogP5.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.27
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol (CID 161081899) is 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol is O=S(=O)(Cc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
The InChIKey is YTLPCRKSKRVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2O3S/c20-13-7-15(21)19(24)18(8-13)27(25,26)10-12-6-14(17(23)9-16(12)22)11-4-2-1-3-5-11/h1-9,24H,10H2.
What are the key properties of 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol?
2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol has a molecular weight of 429.27 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 161081899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).