ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate

C20H21NO6 — CID 56599877

IUPACethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1cc(OCc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C20H21NO6/c1-4-25-20(23)19(21-24-3)17-12-16(10-11-18(17)27-14(2)22)26-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3/b21-19-
InChIKeyMVSLYUZVBMEMCN-VZCXRCSSSA-N
MW371.39 g/mol
LogP3.10
Rot. Bonds8

About ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate

ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate (PubChem CID 56599877) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate
PubChem CID56599877
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1cc(OCc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C20H21NO6/c1-4-25-20(23)19(21-24-3)17-12-16(10-11-18(17)27-14(2)22)26-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3/b21-19-
InChIKeyMVSLYUZVBMEMCN-VZCXRCSSSA-N
XLogP3.10
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
CID 56600076
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
ethyl 3-[2,5-bis(phenylmethoxy)phenyl]but-2-enoate
CID 54056047
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
CID 19873071
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
1-O-ethyl 2-O-(2-nitro-5-phenylmethoxyphenyl) oxalate
CID 11725097
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
1-(2-decoxy-5-phenylmethoxyphenyl)ethanone
CID 86036913

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate (CID 56599877) is ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1cc(OCc2ccccc2)ccc1OC(C)=O.
What is the InChIKey of ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate?
The InChIKey is MVSLYUZVBMEMCN-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H21NO6/c1-4-25-20(23)19(21-24-3)17-12-16(10-11-18(17)27-14(2)22)26-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3/b21-19-.
What are the key properties of ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate?
ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate has a molecular weight of 371.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 56599877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).