1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine

C20H23NO4 — CID 54072231

IUPAC1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
SMILESCON=C(c1ccccc1COc1cc(C)ccc1C)C1OCCO1
InChIInChI=1S/C20H23NO4/c1-14-8-9-15(2)18(12-14)25-13-16-6-4-5-7-17(16)19(21-22-3)20-23-10-11-24-20/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyMHGAUCVRBXXTGB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine (PubChem CID 54072231) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
PubChem CID54072231
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
SMILESCON=C(c1ccccc1COc1cc(C)ccc1C)C1OCCO1
InChIInChI=1S/C20H23NO4/c1-14-8-9-15(2)18(12-14)25-13-16-6-4-5-7-17(16)19(21-22-3)20-23-10-11-24-20/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyMHGAUCVRBXXTGB-UHFFFAOYSA-N
XLogP3.61
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dihydro-1,2-oxazol-3-yl)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxymethanimine
CID 122177269
(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylideneacetamide
CID 18715723
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxy-2-oxoethanimidoyl chloride
CID 85386598
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
CID 74017841
[2-[(2,5-dimethylphenoxy)methyl]phenyl] 2-methoxyiminobutanoate
CID 54211670
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
2,5-dimethylphenol;(2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide;methane;methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 172917326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine?
The IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine (CID 54072231) is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine?
The canonical SMILES for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine is CON=C(c1ccccc1COc1cc(C)ccc1C)C1OCCO1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine?
The InChIKey is MHGAUCVRBXXTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-8-9-15(2)18(12-14)25-13-16-6-4-5-7-17(16)19(21-22-3)20-23-10-11-24-20/h4-9,12,20H,10-11,13H2,1-3H3.
What are the key properties of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine?
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine has a molecular weight of 341.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine is sourced from PubChem (CID 54072231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).