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

C14H12ClFOS — CID 113371991

IUPAC[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2
InChIKeyAGRMTHHCBQTSCB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.26
Rot. Bonds4

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

[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol (PubChem CID 113371991) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
PubChem CID113371991
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2
InChIKeyAGRMTHHCBQTSCB-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
1-chloro-3-fluoro-2-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 2826272
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 79133653
N-[[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66349206
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzaldehyde
CID 66356398
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 2780046
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554792
2-chloro-4-[(2,6-difluorophenyl)methylsulfanyl]aniline
CID 114930416
(2S)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049241
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
(1R,5R)-3,7-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,5-dimethyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole
CID 36688554

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol (CID 113371991) is [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol is OCc1ccc(SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol?
The InChIKey is AGRMTHHCBQTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-7,17H,8-9H2.
What are the key properties of [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol?
[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol has a molecular weight of 282.77 g/mol, XLogP of 4.26, 4 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)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 113371991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).