1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene

C32H38O6 — CID 59189373

IUPAC1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene
SMILESCCOc1c(OC)cc(C=Cc2cc(C)c(C=Cc3cc(OC)c(OCC)c(OC)c3)cc2C)cc1OC
InChIInChI=1S/C32H38O6/c1-9-37-31-27(33-5)17-23(18-28(31)34-6)11-13-25-15-22(4)26(16-21(25)3)14-12-24-19-29(35-7)32(38-10-2)30(20-24)36-8/h11-20H,9-10H2,1-8H3
InChIKeyWWIMWZCNYBETMO-UHFFFAOYSA-N
MW518.65 g/mol
LogP7.48
Rot. Bonds12

About 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene

1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene (PubChem CID 59189373) has the molecular formula C32H38O6 and a molecular weight of 518.65 g/mol. Its IUPAC name is 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene
PubChem CID59189373
Molecular FormulaC32H38O6
Molecular Weight518.65 g/mol
Exact Mass518.27
IUPAC Name1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene
SMILESCCOc1c(OC)cc(C=Cc2cc(C)c(C=Cc3cc(OC)c(OCC)c(OC)c3)cc2C)cc1OC
InChIInChI=1S/C32H38O6/c1-9-37-31-27(33-5)17-23(18-28(31)34-6)11-13-25-15-22(4)26(16-21(25)3)14-12-24-19-29(35-7)32(38-10-2)30(20-24)36-8/h11-20H,9-10H2,1-8H3
InChIKeyWWIMWZCNYBETMO-UHFFFAOYSA-N
XLogP7.48
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 142237968
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
3-(4-ethoxy-3,5-dimethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 76879740
2-[[4-[(E)-2-[4-(ethoxymethoxy)-3,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenoxy]methyl]oxirane
CID 145103096
3-(2,3-dimethylphenoxy)-4-ethoxy-5-methoxybenzaldehyde
CID 7138980
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517091
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 705633
5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,2-dimethoxy-3-methylbenzene
CID 144857589
3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 3717954
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The IUPAC name of 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene (CID 59189373) is 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The canonical SMILES for 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene is CCOc1c(OC)cc(C=Cc2cc(C)c(C=Cc3cc(OC)c(OCC)c(OC)c3)cc2C)cc1OC.
What is the InChIKey of 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The InChIKey is WWIMWZCNYBETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O6/c1-9-37-31-27(33-5)17-23(18-28(31)34-6)11-13-25-15-22(4)26(16-21(25)3)14-12-24-19-29(35-7)32(38-10-2)30(20-24)36-8/h11-20H,9-10H2,1-8H3.
What are the key properties of 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene?
1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene has a molecular weight of 518.65 g/mol, XLogP of 7.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-ethoxy-3,5-dimethoxyphenyl)ethenyl]-2,5-dimethylbenzene is sourced from PubChem (CID 59189373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).