[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol

C14H12ClFO2S — CID 75517688

IUPAC[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFO2S/c15-13-7-12(5-6-14(13)16)19(18)9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2
InChIKeyBUCLUULWPFDMDF-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.28
Rot. Bonds4

About [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol

[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol (PubChem CID 75517688) has the molecular formula C14H12ClFO2S and a molecular weight of 298.77 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol
PubChem CID75517688
Molecular FormulaC14H12ClFO2S
Molecular Weight298.77 g/mol
Exact Mass298.02
IUPAC Name[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFO2S/c15-13-7-12(5-6-14(13)16)19(18)9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2
InChIKeyBUCLUULWPFDMDF-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol (CID 75517688) is [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol is O=S(Cc1ccc(CO)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol?
The InChIKey is BUCLUULWPFDMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2S/c15-13-7-12(5-6-14(13)16)19(18)9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol?
[4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol has a molecular weight of 298.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)sulfinylmethyl]phenyl]methanol is sourced from PubChem (CID 75517688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).