[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol

C13H9ClF2OS — CID 63814768

IUPAC[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
SMILESOCc1c(Cl)cccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-10-2-1-3-13(9(10)7-17)18-8-4-5-11(15)12(16)6-8/h1-6,17H,7H2
InChIKeyBUSBQHWJMPDBLB-UHFFFAOYSA-N
MW286.73 g/mol
LogP4.26
Rot. Bonds3

About [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol

[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol (PubChem CID 63814768) has the molecular formula C13H9ClF2OS and a molecular weight of 286.73 g/mol. Its IUPAC name is [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
PubChem CID63814768
Molecular FormulaC13H9ClF2OS
Molecular Weight286.73 g/mol
Exact Mass286.00
IUPAC Name[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
SMILESOCc1c(Cl)cccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2OS/c14-10-2-1-3-13(9(10)7-17)18-8-4-5-11(15)12(16)6-8/h1-6,17H,7H2
InChIKeyBUSBQHWJMPDBLB-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63812967
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
CID 63813275
N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol (CID 63814768) is [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol is OCc1c(Cl)cccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The InChIKey is BUSBQHWJMPDBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2OS/c14-10-2-1-3-13(9(10)7-17)18-8-4-5-11(15)12(16)6-8/h1-6,17H,7H2.
What are the key properties of [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol?
[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol has a molecular weight of 286.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63814768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).