2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene

C25H27NO7S — CID 73085599

IUPAC2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C25H27NO7S/c1-25(2,22-11-12-23(34-22)26(27)28)33-19-13-16(9-10-18(19)29-3)7-8-17-14-20(30-4)24(32-6)21(15-17)31-5/h7-15H,1-6H3
InChIKeyWZSKVKFBTMLUAY-UHFFFAOYSA-N
MW485.56 g/mol
LogP6.18
Rot. Bonds10

About 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene

2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene (PubChem CID 73085599) has the molecular formula C25H27NO7S and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene.

Molecular Properties

Compound Name2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene
PubChem CID73085599
Molecular FormulaC25H27NO7S
Molecular Weight485.56 g/mol
Exact Mass485.15
IUPAC Name2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C25H27NO7S/c1-25(2,22-11-12-23(34-22)26(27)28)33-19-13-16(9-10-18(19)29-3)7-8-17-14-20(30-4)24(32-6)21(15-17)31-5/h7-15H,1-6H3
InChIKeyWZSKVKFBTMLUAY-UHFFFAOYSA-N
XLogP6.18
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] [1-methyl-4-(5-nitrothiophen-2-yl)piperidin-4-yl] carbonate
CID 11353744
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene?
The IUPAC name of 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene (CID 73085599) is 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene.
What is the SMILES notation for 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene?
The canonical SMILES for 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene?
The InChIKey is WZSKVKFBTMLUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO7S/c1-25(2,22-11-12-23(34-22)26(27)28)33-19-13-16(9-10-18(19)29-3)7-8-17-14-20(30-4)24(32-6)21(15-17)31-5/h7-15H,1-6H3.
What are the key properties of 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene?
2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene has a molecular weight of 485.56 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene is sourced from PubChem (CID 73085599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).