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

C12H9ClF2OS — CID 80641878

IUPAC(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2sccc2Cl)c(F)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3
InChIKeyTWZYPXHOYQRIMX-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.07
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 80641878) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID80641878
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2sccc2Cl)c(F)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3
InChIKeyTWZYPXHOYQRIMX-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-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 80641878) is (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2sccc2Cl)c(F)cc1F.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is TWZYPXHOYQRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c1-6-4-7(10(15)5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11,16H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(3-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 (3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 80641878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).