(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol

C12H9ClF2OS — CID 82816406

IUPAC(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc(Cl)s2)c1F
InChIInChI=1S/C12H9ClF2OS/c1-6-2-3-7(14)10(11(6)15)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3
InChIKeyDJHJBWHCPQGKLX-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.07
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol

(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 82816406) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID82816406
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc(Cl)s2)c1F
InChIInChI=1S/C12H9ClF2OS/c1-6-2-3-7(14)10(11(6)15)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3
InChIKeyDJHJBWHCPQGKLX-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
CID 62661789
(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626
(2,6-difluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115829329
(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 82823282
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
[2-(5-chlorothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105295892
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol (CID 82816406) is (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2ccc(Cl)s2)c1F.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is DJHJBWHCPQGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c1-6-2-3-7(14)10(11(6)15)12(16)8-4-5-9(13)17-8/h2-5,12,16H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol?
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 274.72 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 82816406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).