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

C15H14ClFO2S — CID 110005382

IUPAC[4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO2S/c16-14-2-1-3-15(17)13(14)10-20(19)9-12-6-4-11(8-18)5-7-12/h1-7,18H,8-10H2
InChIKeySUZQIHBSYPUEHD-UHFFFAOYSA-N
MW312.79 g/mol
LogP3.42
Rot. Bonds5

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

[4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol (PubChem CID 110005382) has the molecular formula C15H14ClFO2S and a molecular weight of 312.79 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol
PubChem CID110005382
Molecular FormulaC15H14ClFO2S
Molecular Weight312.79 g/mol
Exact Mass312.04
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO2S/c16-14-2-1-3-15(17)13(14)10-20(19)9-12-6-4-11(8-18)5-7-12/h1-7,18H,8-10H2
InChIKeySUZQIHBSYPUEHD-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol (CID 110005382) is [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol is O=S(Cc1ccc(CO)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol?
The InChIKey is SUZQIHBSYPUEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2S/c16-14-2-1-3-15(17)13(14)10-20(19)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)methylsulfinylmethyl]phenyl]methanol?
[4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol has a molecular weight of 312.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-fluorophenyl)methylsulfinylmethyl]phenyl]methanol is sourced from PubChem (CID 110005382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).