[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate

C14H16N2O4 — CID 140503961

IUPAC[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
SMILESCOc1ccc(COC/C=C/COC(=O)C=[N+]=[N-])cc1
InChIInChI=1S/C14H16N2O4/c1-18-13-6-4-12(5-7-13)11-19-8-2-3-9-20-14(17)10-16-15/h2-7,10H,8-9,11H2,1H3/b3-2+
InChIKeyFYJPUHPICHMZEV-NSCUHMNNSA-N
MW276.29 g/mol
LogP1.61
Rot. Bonds8

About [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate

[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate (PubChem CID 140503961) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate.

Molecular Properties

Compound Name[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
PubChem CID140503961
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
SMILESCOc1ccc(COC/C=C/COC(=O)C=[N+]=[N-])cc1
InChIInChI=1S/C14H16N2O4/c1-18-13-6-4-12(5-7-13)11-19-8-2-3-9-20-14(17)10-16-15/h2-7,10H,8-9,11H2,1H3/b3-2+
InChIKeyFYJPUHPICHMZEV-NSCUHMNNSA-N
XLogP1.61
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
4-[(4-methoxyphenyl)methoxy]but-2-enyl butanoate
CID 150190226
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908
[(E)-4-phenylmethoxybut-2-enyl] N-[(4-methoxybenzoyl)amino]carbamate
CID 45109533
[(2R,4S)-4-(4-methoxyphenoxy)pentan-2-yl] 2-diazoacetate
CID 101167216
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
CID 11174476

Frequently Asked Questions

What is the IUPAC name of [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate?
The IUPAC name of [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate (CID 140503961) is [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate.
What is the SMILES notation for [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate?
The canonical SMILES for [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate is COc1ccc(COC/C=C/COC(=O)C=[N+]=[N-])cc1.
What is the InChIKey of [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate?
The InChIKey is FYJPUHPICHMZEV-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-13-6-4-12(5-7-13)11-19-8-2-3-9-20-14(17)10-16-15/h2-7,10H,8-9,11H2,1H3/b3-2+.
What are the key properties of [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate?
[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate has a molecular weight of 276.29 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate is sourced from PubChem (CID 140503961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).