2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid

C23H21NO5 — CID 68515523

IUPAC2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid
SMILESNOC(=Cc1cccc(OCc2ccccc2)c1OCc1ccccc1)C(=O)O
InChIInChI=1S/C23H21NO5/c24-29-21(23(25)26)14-19-12-7-13-20(27-15-17-8-3-1-4-9-17)22(19)28-16-18-10-5-2-6-11-18/h1-14H,15-16,24H2,(H,25,26)
InChIKeyRCXOROHNPZEYOL-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.16
Rot. Bonds9

About 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid

2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid (PubChem CID 68515523) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid
PubChem CID68515523
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid
SMILESNOC(=Cc1cccc(OCc2ccccc2)c1OCc1ccccc1)C(=O)O
InChIInChI=1S/C23H21NO5/c24-29-21(23(25)26)14-19-12-7-13-20(27-15-17-8-3-1-4-9-17)22(19)28-16-18-10-5-2-6-11-18/h1-14H,15-16,24H2,(H,25,26)
InChIKeyRCXOROHNPZEYOL-UHFFFAOYSA-N
XLogP4.16
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-methoxy-2-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 22680708
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-chloro-1-(2,2-dibromoethenyl)-3-phenylmethoxybenzene
CID 141333067
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
2-[(E)-[2,3-bis[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453391

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid (CID 68515523) is 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid is NOC(=Cc1cccc(OCc2ccccc2)c1OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid?
The InChIKey is RCXOROHNPZEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c24-29-21(23(25)26)14-19-12-7-13-20(27-15-17-8-3-1-4-9-17)22(19)28-16-18-10-5-2-6-11-18/h1-14H,15-16,24H2,(H,25,26).
What are the key properties of 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid?
2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid has a molecular weight of 391.42 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-3-[2,3-bis(phenylmethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 68515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).