buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)

C24H30O4 — CID 175132786

IUPACbuta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
SMILESC=CC=C.C=CCc1ccc(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/2C10H12O2.C4H6/c2*1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-4-2/h2*3,5-7,11H,1,4H2,2H3;3-4H,1-2H2
InChIKeyPDAVESPGPATRJP-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.62
Rot. Bonds7

About buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)

buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) (PubChem CID 175132786) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol).

Molecular Properties

Compound Namebuta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
PubChem CID175132786
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namebuta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
SMILESC=CC=C.C=CCc1ccc(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/2C10H12O2.C4H6/c2*1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-4-2/h2*3,5-7,11H,1,4H2,2H3;3-4H,1-2H2
InChIKeyPDAVESPGPATRJP-UHFFFAOYSA-N
XLogP5.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) 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-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
CID 172883297
2-methoxy-4-prop-2-enylphenol;2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
CID 67418648
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)?
The IUPAC name of buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) (CID 175132786) is buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol).
What is the SMILES notation for buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)?
The canonical SMILES for buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) is C=CC=C.C=CCc1ccc(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1.
What is the InChIKey of buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)?
The InChIKey is PDAVESPGPATRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O2.C4H6/c2*1-3-4-8-5-6-9(11)10(7-8)12-2;1-3-4-2/h2*3,5-7,11H,1,4H2,2H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)?
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) has a molecular weight of 382.50 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol) is sourced from PubChem (CID 175132786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).