[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol

C14H12F2OS — CID 114055364

IUPAC[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(F)cc2F)c(CO)c1
InChIInChI=1S/C14H12F2OS/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3
InChIKeyGKUVKGCJNYMCAX-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.92
Rot. Bonds3

About [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol

[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol (PubChem CID 114055364) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
PubChem CID114055364
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
SMILESCc1ccc(Sc2ccc(F)cc2F)c(CO)c1
InChIInChI=1S/C14H12F2OS/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3
InChIKeyGKUVKGCJNYMCAX-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
CID 63836021
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
CID 54147084
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
CID 167533116
CID 91306893
CID 91306893
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol
CID 69044611
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
[2-(2-fluorophenoxy)-5-methylphenyl]methanol
CID 114054543
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
[2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylphenyl]methanol
CID 114055373

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol (CID 114055364) is [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol is Cc1ccc(Sc2ccc(F)cc2F)c(CO)c1.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol?
The InChIKey is GKUVKGCJNYMCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol?
[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol has a molecular weight of 266.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol is sourced from PubChem (CID 114055364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).