ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate

C18H18N2O3 — CID 101439417

IUPACethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)=[N+]=[N-]
InChIInChI=1S/C18H18N2O3/c1-2-22-18(21)17(20-19)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeySUIXVCODIPPKRW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.04
Rot. Bonds7

About ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate

ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 101439417) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID101439417
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)=[N+]=[N-]
InChIInChI=1S/C18H18N2O3/c1-2-22-18(21)17(20-19)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeySUIXVCODIPPKRW-UHFFFAOYSA-N
XLogP3.04
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.04
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'}

Analyze ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
phenyl 2-diazo-3-phenylpropanoate
CID 175187797
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
ethyl 4-hydroxy-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 69110170
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
diethyl 2-[2-benzyl-3-(4-phenylmethoxyphenyl)propyl]propanedioate
CID 174424237
ethyl 3-(4-phenylmethoxyphenyl)-2-propan-2-yloxyprop-2-enoate
CID 91601076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate (CID 101439417) is ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)=[N+]=[N-].
What is the InChIKey of ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is SUIXVCODIPPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-22-18(21)17(20-19)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate?
ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 310.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 101439417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).