(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid

C9H9NO4 — CID 139891661

IUPAC(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid
SMILESO=C(O)/C=N/OCc1ccc(O)cc1
InChIInChI=1S/C9H9NO4/c11-8-3-1-7(2-4-8)6-14-10-5-9(12)13/h1-5,11H,6H2,(H,12,13)/b10-5+
InChIKeyIVPHRAPEIXCIGC-BJMVGYQFSA-N
MW195.17 g/mol
LogP0.98
Rot. Bonds4

About (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid

(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid (PubChem CID 139891661) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid.

Molecular Properties

Compound Name(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid
PubChem CID139891661
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid
SMILESO=C(O)/C=N/OCc1ccc(O)cc1
InChIInChI=1S/C9H9NO4/c11-8-3-1-7(2-4-8)6-14-10-5-9(12)13/h1-5,11H,6H2,(H,12,13)/b10-5+
InChIKeyIVPHRAPEIXCIGC-BJMVGYQFSA-N
XLogP0.98
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
(4-hydroxyphenyl)methyl hydrogen carbonate
CID 19956654
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
CID 15882424
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(2E)-2-phenylmethoxyimino-N-propylethanethioamide
CID 53236115
2-phenylmethoxyiminoacetaldehyde
CID 56611193
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
bis(benzene-1,4-diol);carbonic acid
CID 68999082
(E)-3-[4-[(E)-(4-methoxycarbonylphenyl)methoxyiminomethyl]phenyl]prop-2-enoic acid
CID 87528511

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid?
The IUPAC name of (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid (CID 139891661) is (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid.
What is the SMILES notation for (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid?
The canonical SMILES for (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid is O=C(O)/C=N/OCc1ccc(O)cc1.
What is the InChIKey of (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid?
The InChIKey is IVPHRAPEIXCIGC-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9NO4/c11-8-3-1-7(2-4-8)6-14-10-5-9(12)13/h1-5,11H,6H2,(H,12,13)/b10-5+.
What are the key properties of (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid?
(2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-hydroxyphenyl)methoxyimino]acetic acid is sourced from PubChem (CID 139891661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).