[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate

C21H23O4P — CID 130346897

IUPAC[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
SMILESC=C/C=C\C(=C/C=C)OP(=O)(OC(/C=C\C)=C/C=C)Oc1ccccc1
InChIInChI=1S/C21H23O4P/c1-5-9-16-20(15-8-4)24-26(22,23-19(13-6-2)14-7-3)25-21-17-11-10-12-18-21/h5-18H,1-2,4H2,3H3/b14-7-,16-9-,19-13+,20-15+
InChIKeyATBLAQVDBHZUMA-ZQYCVWIDSA-N
MW370.39 g/mol
LogP6.66
Rot. Bonds11

About [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate

[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate (PubChem CID 130346897) has the molecular formula C21H23O4P and a molecular weight of 370.39 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
PubChem CID130346897
Molecular FormulaC21H23O4P
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
SMILESC=C/C=C\C(=C/C=C)OP(=O)(OC(/C=C\C)=C/C=C)Oc1ccccc1
InChIInChI=1S/C21H23O4P/c1-5-9-16-20(15-8-4)24-26(22,23-19(13-6-2)14-7-3)25-21-17-11-10-12-18-21/h5-18H,1-2,4H2,3H3/b14-7-,16-9-,19-13+,20-15+
InChIKeyATBLAQVDBHZUMA-ZQYCVWIDSA-N
XLogP6.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate 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

[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297
bis(ethenyl) phenyl phosphate
CID 22119346
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
bis(2-methylbutan-2-yl) phenyl phosphate
CID 174786523
ethenyl methyl phenyl phosphate
CID 11593721
[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
CID 134424390
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919
2-methylpropane;triphenyl phosphate
CID 91193965

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate (CID 130346897) is [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate is C=C/C=C\C(=C/C=C)OP(=O)(OC(/C=C\C)=C/C=C)Oc1ccccc1.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate?
The InChIKey is ATBLAQVDBHZUMA-ZQYCVWIDSA-N. The full InChI is InChI=1S/C21H23O4P/c1-5-9-16-20(15-8-4)24-26(22,23-19(13-6-2)14-7-3)25-21-17-11-10-12-18-21/h5-18H,1-2,4H2,3H3/b14-7-,16-9-,19-13+,20-15+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate?
[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate has a molecular weight of 370.39 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate is sourced from PubChem (CID 130346897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).