methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate

C27H25NO8 — CID 87106347

IUPACmethyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCO/N=C(\COc1ccc(COc2ccc(C3OC(=O)OC3C(=O)OC)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H25NO8/c1-31-26(29)25-24(35-27(30)36-25)20-10-14-22(15-11-20)33-16-18-8-12-21(13-9-18)34-17-23(28-32-2)19-6-4-3-5-7-19/h3-15,24-25H,16-17H2,1-2H3/b28-23+
InChIKeyUORNOCXDKKIAQZ-WEMUOSSPSA-N
MW491.50 g/mol
LogP4.44
Rot. Bonds10

About methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate

methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 87106347) has the molecular formula C27H25NO8 and a molecular weight of 491.50 g/mol. Its IUPAC name is methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID87106347
Molecular FormulaC27H25NO8
Molecular Weight491.50 g/mol
Exact Mass491.16
IUPAC Namemethyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate
SMILESCO/N=C(\COc1ccc(COc2ccc(C3OC(=O)OC3C(=O)OC)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H25NO8/c1-31-26(29)25-24(35-27(30)36-25)20-10-14-22(15-11-20)33-16-18-8-12-21(13-9-18)34-17-23(28-32-2)19-6-4-3-5-7-19/h3-15,24-25H,16-17H2,1-2H3/b28-23+
InChIKeyUORNOCXDKKIAQZ-WEMUOSSPSA-N
XLogP4.44
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
methyl 3-cyclopropyl-3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]propanoate
CID 123869827
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methylamino]phenyl]propanoic acid
CID 56639921
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
(3Z)-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-[(3E)-penta-1,3-dien-3-yl]oxyiminopropanoic acid
CID 88581465
methyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]-4-prop-2-enoxybut-3-enoate
CID 123219033
4-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 56640140

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate (CID 87106347) is methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate is CO/N=C(\COc1ccc(COc2ccc(C3OC(=O)OC3C(=O)OC)cc2)cc1)c1ccccc1.
What is the InChIKey of methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is UORNOCXDKKIAQZ-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H25NO8/c1-31-26(29)25-24(35-27(30)36-25)20-10-14-22(15-11-20)33-16-18-8-12-21(13-9-18)34-17-23(28-32-2)19-6-4-3-5-7-19/h3-15,24-25H,16-17H2,1-2H3/b28-23+.
What are the key properties of methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate?
methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 491.50 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 87106347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).