methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate

C18H17NO5 — CID 142667829

IUPACmethyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1COc1cccc(C=O)c1
InChIInChI=1S/C18H17NO5/c1-22-18(21)17(19-23-2)16-9-4-3-7-14(16)12-24-15-8-5-6-13(10-15)11-20/h3-11H,12H2,1-2H3
InChIKeyIDEIFHFFPVGQRU-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.60
Rot. Bonds7

About methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate

methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate (PubChem CID 142667829) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
PubChem CID142667829
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namemethyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccccc1COc1cccc(C=O)c1
InChIInChI=1S/C18H17NO5/c1-22-18(21)17(19-23-2)16-9-4-3-7-14(16)12-24-15-8-5-6-13(10-15)11-20/h3-11H,12H2,1-2H3
InChIKeyIDEIFHFFPVGQRU-UHFFFAOYSA-N
XLogP2.60
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
methyl 2-[2-[[4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90795035
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl 2-[2-[[3-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90963978
methyl (2E)-2-[2-[[3-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87558796
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 90800488
methyl 2-[2-[(benzylideneamino)oxymethyl]phenyl]-2-methoxyiminoacetate
CID 72606228
methyl (2E)-2-[2-[[5-(2,2-dichloroethenyl)-2-methoxyphenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87558083
methyl (2Z)-2-[2-[[2-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 86648080
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate (CID 142667829) is methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate is CON=C(C(=O)OC)c1ccccc1COc1cccc(C=O)c1.
What is the InChIKey of methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
The InChIKey is IDEIFHFFPVGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-18(21)17(19-23-2)16-9-4-3-7-14(16)12-24-15-8-5-6-13(10-15)11-20/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate?
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate has a molecular weight of 327.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 142667829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).