2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol

C20H20O5S — CID 44814730

IUPAC2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
SMILESCOc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H20O5S/c1-22-16-6-5-12(9-15(16)21)14-7-8-26-20(14)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3
InChIKeyWJTNCSCARJATOW-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.82
Rot. Bonds6

About 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol (PubChem CID 44814730) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
PubChem CID44814730
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
SMILESCOc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H20O5S/c1-22-16-6-5-12(9-15(16)21)14-7-8-26-20(14)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3
InChIKeyWJTNCSCARJATOW-UHFFFAOYSA-N
XLogP4.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol (CID 44814730) is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol is COc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol?
The InChIKey is WJTNCSCARJATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5S/c1-22-16-6-5-12(9-15(16)21)14-7-8-26-20(14)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3.
What are the key properties of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol?
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol has a molecular weight of 372.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol is sourced from PubChem (CID 44814730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).