2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene

C36H44O6 — CID 59289897

IUPAC2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
SMILESCCC(C)Oc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC4CCCCC4)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C36H44O6/c1-7-25(2)41-35-31(37-3)21-28(22-32(35)38-4)19-17-26-13-15-27(16-14-26)18-20-29-23-33(39-5)36(34(24-29)40-6)42-30-11-9-8-10-12-30/h13-25,30H,7-12H2,1-6H3/b19-17+,20-18+
InChIKeyWOYBANIACRFMNJ-XPWSMXQVSA-N
MW572.74 g/mol
LogP8.95
Rot. Bonds13

About 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene

2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene (PubChem CID 59289897) has the molecular formula C36H44O6 and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
PubChem CID59289897
Molecular FormulaC36H44O6
Molecular Weight572.74 g/mol
Exact Mass572.31
IUPAC Name2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
SMILESCCC(C)Oc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC4CCCCC4)c(OC)c3)cc2)cc1OC
InChIInChI=1S/C36H44O6/c1-7-25(2)41-35-31(37-3)21-28(22-32(35)38-4)19-17-26-13-15-27(16-14-26)18-20-29-23-33(39-5)36(34(24-29)40-6)42-30-11-9-8-10-12-30/h13-25,30H,7-12H2,1-6H3/b19-17+,20-18+
InChIKeyWOYBANIACRFMNJ-XPWSMXQVSA-N
XLogP8.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The IUPAC name of 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene (CID 59289897) is 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene is CCC(C)Oc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC4CCCCC4)c(OC)c3)cc2)cc1OC.
What is the InChIKey of 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
The InChIKey is WOYBANIACRFMNJ-XPWSMXQVSA-N. The full InChI is InChI=1S/C36H44O6/c1-7-25(2)41-35-31(37-3)21-28(22-32(35)38-4)19-17-26-13-15-27(16-14-26)18-20-29-23-33(39-5)36(34(24-29)40-6)42-30-11-9-8-10-12-30/h13-25,30H,7-12H2,1-6H3/b19-17+,20-18+.
What are the key properties of 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene?
2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene has a molecular weight of 572.74 g/mol, XLogP of 8.95, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene is sourced from PubChem (CID 59289897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).