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

C15H18O4S — CID 61099992

IUPAC(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)s2)c(OC)c1OC
InChIInChI=1S/C15H18O4S/c1-9-5-8-12(20-9)13(16)10-6-7-11(17-2)15(19-4)14(10)18-3/h5-8,13,16H,1-4H3
InChIKeyMRCBJLFWRIVBSG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.16
Rot. Bonds5

About (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol

(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 61099992) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
PubChem CID61099992
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(C)s2)c(OC)c1OC
InChIInChI=1S/C15H18O4S/c1-9-5-8-12(20-9)13(16)10-6-7-11(17-2)15(19-4)14(10)18-3/h5-8,13,16H,1-4H3
InChIKeyMRCBJLFWRIVBSG-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

(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 105066346
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(S)-(4-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 40535084
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868
(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61082570
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanol
CID 81284648
1-[(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4272913
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
3-[bromo-(2,3,4-trimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61098951
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol (CID 61099992) is (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol is COc1ccc(C(O)c2ccc(C)s2)c(OC)c1OC.
What is the InChIKey of (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is MRCBJLFWRIVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-9-5-8-12(20-9)13(16)10-6-7-11(17-2)15(19-4)14(10)18-3/h5-8,13,16H,1-4H3.
What are the key properties of (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol?
(5-methylthiophen-2-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 (5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 61099992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).