2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

C34H34O6 — CID 123758445

IUPAC2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2C(=Cc2ccc(OC)cc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C34H34O6/c1-35-27-13-8-23(9-14-27)7-12-25-18-31(39-5)22-33(40-6)34(25)32(17-24-10-15-28(36-2)16-11-24)26-19-29(37-3)21-30(20-26)38-4/h7-22H,1-6H3
InChIKeyNGLPYWGWGCCOEJ-UHFFFAOYSA-N
MW538.64 g/mol
LogP7.50
Rot. Bonds11

About 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 123758445) has the molecular formula C34H34O6 and a molecular weight of 538.64 g/mol. Its IUPAC name is 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID123758445
Molecular FormulaC34H34O6
Molecular Weight538.64 g/mol
Exact Mass538.24
IUPAC Name2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2C(=Cc2ccc(OC)cc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C34H34O6/c1-35-27-13-8-23(9-14-27)7-12-25-18-31(39-5)22-33(40-6)34(25)32(17-24-10-15-28(36-2)16-11-24)26-19-29(37-3)21-30(20-26)38-4/h7-22H,1-6H3
InChIKeyNGLPYWGWGCCOEJ-UHFFFAOYSA-N
XLogP7.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 57.50
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-[(E)-1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89202401
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone
CID 89202436
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
2-[(Z)-1-hydroxy-2-(4-methoxyphenyl)ethenyl]-3,5-dimethoxyphenol
CID 102473199
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-methylphenyl)prop-2-en-1-one
CID 54583718

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene (CID 123758445) is 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(C=Cc2cc(OC)cc(OC)c2C(=Cc2ccc(OC)cc2)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is NGLPYWGWGCCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O6/c1-35-27-13-8-23(9-14-27)7-12-25-18-31(39-5)22-33(40-6)34(25)32(17-24-10-15-28(36-2)16-11-24)26-19-29(37-3)21-30(20-26)38-4/h7-22H,1-6H3.
What are the key properties of 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 538.64 g/mol, XLogP of 7.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 123758445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).