(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol

C13H13ClO2S — CID 102829422

IUPAC(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccsc1C
InChIInChI=1S/C13H13ClO2S/c1-8-9(6-7-17-8)13(15)12-10(14)4-3-5-11(12)16-2/h3-7,13,15H,1-2H3
InChIKeyLEQKXSDPCXEIEJ-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.80
Rot. Bonds3

About (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol

(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102829422) has the molecular formula C13H13ClO2S and a molecular weight of 268.76 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
PubChem CID102829422
Molecular FormulaC13H13ClO2S
Molecular Weight268.76 g/mol
Exact Mass268.03
IUPAC Name(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccsc1C
InChIInChI=1S/C13H13ClO2S/c1-8-9(6-7-17-8)13(15)12-10(14)4-3-5-11(12)16-2/h3-7,13,15H,1-2H3
InChIKeyLEQKXSDPCXEIEJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(2-chloro-6-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 104817555
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(3-chloro-2-pyridinyl)-(2-methylthiophen-3-yl)methanol
CID 103443385
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol (CID 102829422) is (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol is COc1cccc(Cl)c1C(O)c1ccsc1C.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is LEQKXSDPCXEIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-8-9(6-7-17-8)13(15)12-10(14)4-3-5-11(12)16-2/h3-7,13,15H,1-2H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol?
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 268.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102829422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).