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

C12H8Cl2F2OS — CID 107964322

IUPAC(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(C(O)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C12H8Cl2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4,11,17H,1H3
InChIKeyISUNXOIJYMNBPW-UHFFFAOYSA-N
MW309.16 g/mol
LogP4.72
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol (PubChem CID 107964322) has the molecular formula C12H8Cl2F2OS and a molecular weight of 309.16 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
PubChem CID107964322
Molecular FormulaC12H8Cl2F2OS
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(C(O)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C12H8Cl2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4,11,17H,1H3
InChIKeyISUNXOIJYMNBPW-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964308
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol (CID 107964322) is (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol is Cc1cc(F)c(C(O)c2cc(Cl)sc2Cl)cc1F.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol?
The InChIKey is ISUNXOIJYMNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4,11,17H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol?
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol has a molecular weight of 309.16 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107964322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).