1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene

C30H28O4 — CID 141466658

IUPAC1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc(OCc2ccccc2)c1
InChIInChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)33-21-24-9-5-3-6-10-24)14-13-23-15-16-29(32-2)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+
InChIKeyZDVBDFHPCQIBQK-BUHFOSPRSA-N
MW452.55 g/mol
LogP7.03
Rot. Bonds10

About 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene

1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene (PubChem CID 141466658) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
PubChem CID141466658
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc(OCc2ccccc2)c1
InChIInChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)33-21-24-9-5-3-6-10-24)14-13-23-15-16-29(32-2)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+
InChIKeyZDVBDFHPCQIBQK-BUHFOSPRSA-N
XLogP7.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671
2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene?
The IUPAC name of 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene (CID 141466658) is 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene.
What is the SMILES notation for 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene?
The canonical SMILES for 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene is COc1cc(/C=C/c2ccc(OC)c(OCc3ccccc3)c2)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene?
The InChIKey is ZDVBDFHPCQIBQK-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)33-21-24-9-5-3-6-10-24)14-13-23-15-16-29(32-2)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+.
What are the key properties of 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene?
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene has a molecular weight of 452.55 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene is sourced from PubChem (CID 141466658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).