[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate

C24H24O6 — CID 89276913

IUPAC[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate
SMILESC=CC(=O)OC(CCCC)Oc1ccc(OC(=O)c2ccc(C(=O)C=C)cc2)cc1
InChIInChI=1S/C24H24O6/c1-4-7-8-23(30-22(26)6-3)28-19-13-15-20(16-14-19)29-24(27)18-11-9-17(10-12-18)21(25)5-2/h5-6,9-16,23H,2-4,7-8H2,1H3
InChIKeyANPUTIZRZMLSIM-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.90
Rot. Bonds11

About [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate

[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate (PubChem CID 89276913) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate.

Molecular Properties

Compound Name[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate
PubChem CID89276913
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate
SMILESC=CC(=O)OC(CCCC)Oc1ccc(OC(=O)c2ccc(C(=O)C=C)cc2)cc1
InChIInChI=1S/C24H24O6/c1-4-7-8-23(30-22(26)6-3)28-19-13-15-20(16-14-19)29-24(27)18-11-9-17(10-12-18)21(25)5-2/h5-6,9-16,23H,2-4,7-8H2,1H3
InChIKeyANPUTIZRZMLSIM-UHFFFAOYSA-N
XLogP4.90
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-hexoxyphenyl)methoxy]phenyl] 4-(1-prop-2-enoyloxyhexoxy)benzoate
CID 122424910
[4-(1-prop-2-enoyloxyoctoxy)phenyl] 4-(2-formyl-4-hydroxynon-1-en-5-yl)oxybenzoate
CID 88849566
1-(4-acetylphenoxy)butyl prop-2-enoate
CID 59237709
[2-methyl-4-[4-(1-prop-2-enoyloxydodecoxy)benzoyl]oxyphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate
CID 153438758
[3-methoxy-4-[4-(1-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 176764622
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415
1-butoxyethyl 4-prop-2-enoyloxybenzoate
CID 150490967
[4-(4-prop-2-enoyloxyphenyl)phenyl] 4-(2-formyl-4-hydroxynon-1-en-5-yl)oxybenzoate
CID 88849510
1-[4-[4-[4-(1-prop-2-enoyloxybutoxy)phenyl]buta-1,3-diynyl]phenoxy]butyl prop-2-enoate
CID 89053451
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218
(4-decoxyphenyl) 4-[(2S)-hexan-2-yl]oxybenzoate
CID 40737002
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865

Frequently Asked Questions

What is the IUPAC name of [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate?
The IUPAC name of [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate (CID 89276913) is [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate.
What is the SMILES notation for [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate?
The canonical SMILES for [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate is C=CC(=O)OC(CCCC)Oc1ccc(OC(=O)c2ccc(C(=O)C=C)cc2)cc1.
What is the InChIKey of [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate?
The InChIKey is ANPUTIZRZMLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-4-7-8-23(30-22(26)6-3)28-19-13-15-20(16-14-19)29-24(27)18-11-9-17(10-12-18)21(25)5-2/h5-6,9-16,23H,2-4,7-8H2,1H3.
What are the key properties of [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate?
[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate has a molecular weight of 408.45 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate is sourced from PubChem (CID 89276913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).