methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate

C18H18N2O5 — CID 20843625

IUPACmethyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C(=N\N)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-14-7-5-13(6-8-14)18(22)17(20-19)12-3-9-15(10-4-12)25-11-16(21)24-2/h3-10H,11,19H2,1-2H3/b20-17+
InChIKeyUYZNJQSXHVBXSR-LVZFUZTISA-N
MW342.35 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate

methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate (PubChem CID 20843625) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate
PubChem CID20843625
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C(=N\N)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-14-7-5-13(6-8-14)18(22)17(20-19)12-3-9-15(10-4-12)25-11-16(21)24-2/h3-10H,11,19H2,1-2H3/b20-17+
InChIKeyUYZNJQSXHVBXSR-LVZFUZTISA-N
XLogP1.79
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300297
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
methyl 2-[4-[2-[4-(2-methylperoxyethoxy)phenyl]-2-oxoacetyl]phenoxy]acetate
CID 88589637
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
CID 24828690
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate (CID 20843625) is methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate is COC(=O)COc1ccc(/C(=N\N)C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate?
The InChIKey is UYZNJQSXHVBXSR-LVZFUZTISA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-14-7-5-13(6-8-14)18(22)17(20-19)12-3-9-15(10-4-12)25-11-16(21)24-2/h3-10H,11,19H2,1-2H3/b20-17+.
What are the key properties of methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate?
methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate has a molecular weight of 342.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate is sourced from PubChem (CID 20843625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).