[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate

C15H18N2O3 — CID 101082359

IUPAC[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate
SMILESCC(C)(C)Oc1ccc(/C=C\COC(=O)C=[N+]=[N-])cc1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-13-8-6-12(7-9-13)5-4-10-19-14(18)11-17-16/h4-9,11H,10H2,1-3H3/b5-4-
InChIKeyNHYLWZMJGQARSY-PLNGDYQASA-N
MW274.32 g/mol
LogP2.72
Rot. Bonds5

About [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate

[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate (PubChem CID 101082359) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate.

Molecular Properties

Compound Name[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate
PubChem CID101082359
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate
SMILESCC(C)(C)Oc1ccc(/C=C\COC(=O)C=[N+]=[N-])cc1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-13-8-6-12(7-9-13)5-4-10-19-14(18)11-17-16/h4-9,11H,10H2,1-3H3/b5-4-
InChIKeyNHYLWZMJGQARSY-PLNGDYQASA-N
XLogP2.72
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-diazo-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one
CID 57025166
[(2E,4E)-6-(2-diazoacetyl)oxyhexa-2,4-dienyl] 2-diazoacetate
CID 101372875
3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
CID 54376177
(E)-1-diazo-7-(4-methoxyphenyl)hept-6-en-2-one
CID 135767047
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
1-O-tert-butyl 3-O-[(Z)-3-phenylprop-2-enyl] 2-diazopropanedioate
CID 86607496
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
ethyl 2-methyl-2-[4-[(E)-3-(4-methylsulfonyloxyphenyl)prop-2-enoxy]phenoxy]propanoate
CID 58816032
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
CID 91998712

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate?
The IUPAC name of [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate (CID 101082359) is [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate.
What is the SMILES notation for [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate?
The canonical SMILES for [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate is CC(C)(C)Oc1ccc(/C=C\COC(=O)C=[N+]=[N-])cc1.
What is the InChIKey of [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate?
The InChIKey is NHYLWZMJGQARSY-PLNGDYQASA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)20-13-8-6-12(7-9-13)5-4-10-19-14(18)11-17-16/h4-9,11H,10H2,1-3H3/b5-4-.
What are the key properties of [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate?
[(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate has a molecular weight of 274.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl] 2-diazoacetate is sourced from PubChem (CID 101082359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).