1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene

C21H20O2 — CID 14597339

IUPAC1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene
SMILESC=C=COc1ccc(C(C)(C)c2ccc(OC=C=C)cc2)cc1
InChIInChI=1S/C21H20O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h7-16H,1-2H2,3-4H3
InChIKeyIQFWZIAVDHECAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.37
Rot. Bonds6

About 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene

1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene (PubChem CID 14597339) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene
PubChem CID14597339
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene
SMILESC=C=COc1ccc(C(C)(C)c2ccc(OC=C=C)cc2)cc1
InChIInChI=1S/C21H20O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h7-16H,1-2H2,3-4H3
InChIKeyIQFWZIAVDHECAM-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-propa-1,2-dienoxybenzene
CID 86151206
1-(propa-1,2-dienoxymethoxy)-4-[2-[4-(prop-2-enoxymethoxy)phenyl]propan-2-yl]benzene
CID 21305906
4-tert-butyl-1-[(4-tert-butyl-2-propa-1,2-dienoxyphenyl)methyl]-2-propa-1,2-dienoxybenzene
CID 139688836
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
CID 66741878
O-[4-[2-(4-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
CID 67933990
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
(4-tert-butylphenyl) formate
CID 15727718
[4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenyl] formate
CID 88909579
1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
CID 57321811
2-[4-[2-[4-(2-oxoethoxy)phenyl]propan-2-yl]phenoxy]acetaldehyde
CID 19379183

Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene (CID 14597339) is 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene is C=C=COc1ccc(C(C)(C)c2ccc(OC=C=C)cc2)cc1.
What is the InChIKey of 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene?
The InChIKey is IQFWZIAVDHECAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h7-16H,1-2H2,3-4H3.
What are the key properties of 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene?
1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene has a molecular weight of 304.39 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 14597339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).