5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene

C32H40O6 — CID 154473644

IUPAC5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene
SMILESCOC1=CC(/C=C/c2ccc(/C=C/c3cc(OC)c(OC(C)C)c(OC)c3)cc2)=CC(OC)C1OC(C)C
InChIInChI=1S/C32H40O6/c1-21(2)37-31-27(33-5)17-25(18-28(31)34-6)15-13-23-9-11-24(12-10-23)14-16-26-19-29(35-7)32(38-22(3)4)30(20-26)36-8/h9-22,27,31H,1-8H3/b15-13+,16-14+
InChIKeyIREKYAUKHDHGEB-WXUKJITCSA-N
MW520.67 g/mol
LogP6.95
Rot. Bonds12

About 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene

5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene (PubChem CID 154473644) has the molecular formula C32H40O6 and a molecular weight of 520.67 g/mol. Its IUPAC name is 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene
PubChem CID154473644
Molecular FormulaC32H40O6
Molecular Weight520.67 g/mol
Exact Mass520.28
IUPAC Name5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene
SMILESCOC1=CC(/C=C/c2ccc(/C=C/c3cc(OC)c(OC(C)C)c(OC)c3)cc2)=CC(OC)C1OC(C)C
InChIInChI=1S/C32H40O6/c1-21(2)37-31-27(33-5)17-25(18-28(31)34-6)15-13-23-9-11-24(12-10-23)14-16-26-19-29(35-7)32(38-22(3)4)30(20-26)36-8/h9-22,27,31H,1-8H3/b15-13+,16-14+
InChIKeyIREKYAUKHDHGEB-WXUKJITCSA-N
XLogP6.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene 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

[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl] dihydrogen phosphate
CID 129130461
[5-[(E)-2-[4-[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-3-(hydroxymethyl)-2-propan-2-yloxyphenyl]methanol
CID 58325751
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene
CID 72553327
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 137454170
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 59289897
(E)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 19618045
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
CID 162885945

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene?
The IUPAC name of 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene (CID 154473644) is 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene.
What is the SMILES notation for 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene?
The canonical SMILES for 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene is COC1=CC(/C=C/c2ccc(/C=C/c3cc(OC)c(OC(C)C)c(OC)c3)cc2)=CC(OC)C1OC(C)C.
What is the InChIKey of 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene?
The InChIKey is IREKYAUKHDHGEB-WXUKJITCSA-N. The full InChI is InChI=1S/C32H40O6/c1-21(2)37-31-27(33-5)17-25(18-28(31)34-6)15-13-23-9-11-24(12-10-23)14-16-26-19-29(35-7)32(38-22(3)4)30(20-26)36-8/h9-22,27,31H,1-8H3/b15-13+,16-14+.
What are the key properties of 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene?
5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene has a molecular weight of 520.67 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propan-2-yloxybenzene is sourced from PubChem (CID 154473644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).