4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene

C16H18O4S — CID 127039303

IUPAC4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
SMILESCOc1csc(/C=C\c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O4S/c1-17-12-9-13(21-10-12)6-5-11-7-14(18-2)16(20-4)15(8-11)19-3/h5-10H,1-4H3/b6-5-
InChIKeyMNGPOHZNSJYLFB-WAYWQWQTSA-N
MW306.38 g/mol
LogP3.95
Rot. Bonds6

About 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene

4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene (PubChem CID 127039303) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene.

Molecular Properties

Compound Name4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
PubChem CID127039303
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene
SMILESCOc1csc(/C=C\c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H18O4S/c1-17-12-9-13(21-10-12)6-5-11-7-14(18-2)16(20-4)15(8-11)19-3/h5-10H,1-4H3/b6-5-
InChIKeyMNGPOHZNSJYLFB-WAYWQWQTSA-N
XLogP3.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene
CID 9834747
2-[(Z)-2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene
CID 44347296
(4E,6E,10Z)-4-methyl-1-thiophen-2-yl-11-(3,4,5-trimethoxyphenyl)undeca-4,6,10-trien-1-ol
CID 9888838
2,6-dimethoxy-4-[(E)-2-thiophen-2-ylethenyl]phenol
CID 14771897
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
5-{Hydroxy-[2-(3,4,5-trimethoxy-phenyl)-thiophen-3-yl]-methyl}-2-methoxy-phenol
CID 44314972
2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 53380485
3-(3-Fluoro-4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53386464
6-[4-(3,4,5-Trimethoxyphenyl)thiophen-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 53387871
3-(2-Fluoro-3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388183
(E)-1-[4-(Methylsulfanyl)phenyl]-2-(2,3,4-trimethoxyphenyl)ethene
CID 66553584
2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzothiophene
CID 71463007

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene?
The IUPAC name of 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene (CID 127039303) is 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene.
What is the SMILES notation for 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene?
The canonical SMILES for 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene is COc1csc(/C=C\c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene?
The InChIKey is MNGPOHZNSJYLFB-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H18O4S/c1-17-12-9-13(21-10-12)6-5-11-7-14(18-2)16(20-4)15(8-11)19-3/h5-10H,1-4H3/b6-5-.
What are the key properties of 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene?
4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene has a molecular weight of 306.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]thiophene is sourced from PubChem (CID 127039303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).