[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate

C18H14N2O4 — CID 89405419

IUPAC[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1/N=N/c1ccccc1OC(=O)C=C
InChIInChI=1S/C18H14N2O4/c1-3-17(21)23-15-11-7-5-9-13(15)19-20-14-10-6-8-12-16(14)24-18(22)4-2/h3-12H,1-2H2/b20-19+
InChIKeyHFNLKZNVTCZSRO-FMQUCBEESA-N
MW322.32 g/mol
LogP4.28
Rot. Bonds6

About [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate

[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate (PubChem CID 89405419) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
PubChem CID89405419
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1/N=N/c1ccccc1OC(=O)C=C
InChIInChI=1S/C18H14N2O4/c1-3-17(21)23-15-11-7-5-9-13(15)19-20-14-10-6-8-12-16(14)24-18(22)4-2/h3-12H,1-2H2/b20-19+
InChIKeyHFNLKZNVTCZSRO-FMQUCBEESA-N
XLogP4.28
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-isothiocyanatophenyl) prop-2-enoate
CID 175060327
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
naphthalen-1-yl prop-2-enoate
CID 10192638
CID 67461549
CID 67461549
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
[3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalen-2-yl] prop-2-enoate
CID 135847581
[3-methyl-4-[(2-methylphenyl)diazenyl]naphthalen-2-yl] prop-2-enoate
CID 174479372
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
12-(2-phenyldiazenylphenoxy)dodecyl prop-2-enoate
CID 141194405
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834

Frequently Asked Questions

What is the IUPAC name of [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate?
The IUPAC name of [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate (CID 89405419) is [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate?
The canonical SMILES for [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1/N=N/c1ccccc1OC(=O)C=C.
What is the InChIKey of [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate?
The InChIKey is HFNLKZNVTCZSRO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O4/c1-3-17(21)23-15-11-7-5-9-13(15)19-20-14-10-6-8-12-16(14)24-18(22)4-2/h3-12H,1-2H2/b20-19+.
What are the key properties of [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate?
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate has a molecular weight of 322.32 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 89405419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).