1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene

C23H26O4 — CID 21305906

IUPAC1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene
SMILESC=C=COCOc1ccc(C(C)(C)c2ccc(OCOCC=C)cc2)cc1
InChIInChI=1S/C23H26O4/c1-5-15-24-17-26-21-11-7-19(8-12-21)23(3,4)20-9-13-22(14-10-20)27-18-25-16-6-2/h5,7-14,16H,1-2,15,17-18H2,3-4H3
InChIKeyIGZSARKSWNPNID-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.20
Rot. Bonds11

About 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene

1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene (PubChem CID 21305906) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene
PubChem CID21305906
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene
SMILESC=C=COCOc1ccc(C(C)(C)c2ccc(OCOCC=C)cc2)cc1
InChIInChI=1S/C23H26O4/c1-5-15-24-17-26-21-11-7-19(8-12-21)23(3,4)20-9-13-22(14-10-20)27-18-25-16-6-2/h5,7-14,16H,1-2,15,17-18H2,3-4H3
InChIKeyIGZSARKSWNPNID-UHFFFAOYSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene (CID 21305906) is 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene is C=C=COCOc1ccc(C(C)(C)c2ccc(OCOCC=C)cc2)cc1.
What is the InChIKey of 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene?
The InChIKey is IGZSARKSWNPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-5-15-24-17-26-21-11-7-19(8-12-21)23(3,4)20-9-13-22(14-10-20)27-18-25-16-6-2/h5,7-14,16H,1-2,15,17-18H2,3-4H3.
What are the key properties of 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene?
1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene has a molecular weight of 366.46 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 21305906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).