2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid

C18H19NO4 — CID 91067805

IUPAC2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
SMILESCCON=C(C(=O)O)c1ccc(Oc2ccccc2C)cc1C
InChIInChI=1S/C18H19NO4/c1-4-22-19-17(18(20)21)15-10-9-14(11-13(15)3)23-16-8-6-5-7-12(16)2/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyUNRLLJVKYUXPCL-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.92
Rot. Bonds6

About 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid

2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid (PubChem CID 91067805) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
PubChem CID91067805
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
SMILESCCON=C(C(=O)O)c1ccc(Oc2ccccc2C)cc1C
InChIInChI=1S/C18H19NO4/c1-4-22-19-17(18(20)21)15-10-9-14(11-13(15)3)23-16-8-6-5-7-12(16)2/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyUNRLLJVKYUXPCL-UHFFFAOYSA-N
XLogP3.92
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
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

2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
2-ethoxyimino-2-(2-phenoxyphenyl)acetamide
CID 73413307
(2E)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375401
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
CID 173358306
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
(2E)-2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 45108226
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
4-(2-methylphenoxy)benzoate
CID 7010211
2-(2-ethoxyphenyl)-2-methoxyiminoacetic acid
CID 56981988
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid (CID 91067805) is 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid is CCON=C(C(=O)O)c1ccc(Oc2ccccc2C)cc1C.
What is the InChIKey of 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid?
The InChIKey is UNRLLJVKYUXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-22-19-17(18(20)21)15-10-9-14(11-13(15)3)23-16-8-6-5-7-12(16)2/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid?
2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid has a molecular weight of 313.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 91067805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).