4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol

C19H14ClFO3S — CID 160792353

IUPAC4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFO3S/c20-16-7-9-18(22)19(11-16)25(23,24)12-15-10-14(6-8-17(15)21)13-4-2-1-3-5-13/h1-11,22H,12H2
InChIKeySBZKGDDOZJIOQP-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.83
Rot. Bonds4

About 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol

4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol (PubChem CID 160792353) has the molecular formula C19H14ClFO3S and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
PubChem CID160792353
Molecular FormulaC19H14ClFO3S
Molecular Weight376.84 g/mol
Exact Mass376.03
IUPAC Name4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFO3S/c20-16-7-9-18(22)19(11-16)25(23,24)12-15-10-14(6-8-17(15)21)13-4-2-1-3-5-13/h1-11,22H,12H2
InChIKeySBZKGDDOZJIOQP-UHFFFAOYSA-N
XLogP4.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The IUPAC name of 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol (CID 160792353) is 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol is O=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The InChIKey is SBZKGDDOZJIOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO3S/c20-16-7-9-18(22)19(11-16)25(23,24)12-15-10-14(6-8-17(15)21)13-4-2-1-3-5-13/h1-11,22H,12H2.
What are the key properties of 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol has a molecular weight of 376.84 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 160792353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).