(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol

C13H11Cl3OS — CID 107964349

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(Cl)sc2Cl)cc1C
InChIInChI=1S/C13H11Cl3OS/c1-6-3-8(10(14)4-7(6)2)12(17)9-5-11(15)18-13(9)16/h3-5,12,17H,1-2H3
InChIKeyBWQBUOQLRYGUJO-UHFFFAOYSA-N
MW321.66 g/mol
LogP5.41
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol

(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 107964349) has the molecular formula C13H11Cl3OS and a molecular weight of 321.66 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID107964349
Molecular FormulaC13H11Cl3OS
Molecular Weight321.66 g/mol
Exact Mass319.96
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(Cl)sc2Cl)cc1C
InChIInChI=1S/C13H11Cl3OS/c1-6-3-8(10(14)4-7(6)2)12(17)9-5-11(15)18-13(9)16/h3-5,12,17H,1-2H3
InChIKeyBWQBUOQLRYGUJO-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.66
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964190
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964308
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 115484494
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 107964349) is (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol is Cc1cc(Cl)c(C(O)c2cc(Cl)sc2Cl)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is BWQBUOQLRYGUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3OS/c1-6-3-8(10(14)4-7(6)2)12(17)9-5-11(15)18-13(9)16/h3-5,12,17H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 321.66 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 107964349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).