(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol

C11H11ClOS2 — CID 102764416

IUPAC(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H11ClOS2/c1-6-3-9(15-11(6)12)10(13)8-5-14-4-7(8)2/h3-5,10,13H,1-2H3
InChIKeySTYLWBGOSYHHGO-UHFFFAOYSA-N
MW258.80 g/mol
LogP4.16
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol

(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol (PubChem CID 102764416) has the molecular formula C11H11ClOS2 and a molecular weight of 258.80 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
PubChem CID102764416
Molecular FormulaC11H11ClOS2
Molecular Weight258.80 g/mol
Exact Mass257.99
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H11ClOS2/c1-6-3-9(15-11(6)12)10(13)8-5-14-4-7(8)2/h3-5,10,13H,1-2H3
InChIKeySTYLWBGOSYHHGO-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 102764533
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol (CID 102764416) is (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol is Cc1cscc1C(O)c1cc(C)c(Cl)s1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is STYLWBGOSYHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS2/c1-6-3-9(15-11(6)12)10(13)8-5-14-4-7(8)2/h3-5,10,13H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol has a molecular weight of 258.80 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102764416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).