(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol

C15H18O4S — CID 102829172

IUPAC(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H18O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13,16H,1-4H3
InChIKeyFMCLASCRWDXCCG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.16
Rot. Bonds5

About (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol

(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 102829172) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
PubChem CID102829172
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H18O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13,16H,1-4H3
InChIKeyFMCLASCRWDXCCG-UHFFFAOYSA-N
XLogP3.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 102840906
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61082570
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
CID 102842552

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol (CID 102829172) is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol is COc1ccc(C(O)c2ccsc2C)c(OC)c1OC.
What is the InChIKey of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is FMCLASCRWDXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13,16H,1-4H3.
What are the key properties of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol?
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol has a molecular weight of 294.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 102829172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).