[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol

C15H14ClFO3S — CID 110005717

IUPAC[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO3S/c16-14-2-1-3-15(17)13(14)10-21(19,20)9-12-6-4-11(8-18)5-7-12/h1-7,18H,8-10H2
InChIKeyIKBWJUWCOGXOGH-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.09
Rot. Bonds5

About [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol

[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol (PubChem CID 110005717) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol
PubChem CID110005717
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO3S/c16-14-2-1-3-15(17)13(14)10-21(19,20)9-12-6-4-11(8-18)5-7-12/h1-7,18H,8-10H2
InChIKeyIKBWJUWCOGXOGH-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol (CID 110005717) is [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol is O=S(=O)(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol?
The InChIKey is IKBWJUWCOGXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c16-14-2-1-3-15(17)13(14)10-21(19,20)9-12-6-4-11(8-18)5-7-12/h1-7,18H,8-10H2.
What are the key properties of [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol?
[4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol has a molecular weight of 328.79 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 110005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).