(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

C12H9ClF2OS — CID 79731095

IUPAC(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)s2)c(F)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3
InChIKeyQQENJYDYIYXBIF-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.07
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 79731095) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID79731095
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)s2)c(F)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3
InChIKeyQQENJYDYIYXBIF-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-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816406
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
CID 62661789
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 79731095) is (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2ccc(Cl)s2)c(F)cc1F.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is QQENJYDYIYXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12,16H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-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)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79731095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).