4-(2-imino-2-phenylethoxy)benzoic acid

C15H13NO3 — CID 91226925

IUPAC4-(2-imino-2-phenylethoxy)benzoic acid
SMILES[H]/N=C(\COc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c16-14(11-4-2-1-3-5-11)10-19-13-8-6-12(7-9-13)15(17)18/h1-9,16H,10H2,(H,17,18)/b16-14+
InChIKeyULADHBDALWGUJQ-JQIJEIRASA-N
MW255.27 g/mol
LogP2.83
Rot. Bonds5

About 4-(2-imino-2-phenylethoxy)benzoic acid

4-(2-imino-2-phenylethoxy)benzoic acid (PubChem CID 91226925) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(2-imino-2-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-imino-2-phenylethoxy)benzoic acid
PubChem CID91226925
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(2-imino-2-phenylethoxy)benzoic acid
SMILES[H]/N=C(\COc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c16-14(11-4-2-1-3-5-11)10-19-13-8-6-12(7-9-13)15(17)18/h1-9,16H,10H2,(H,17,18)/b16-14+
InChIKeyULADHBDALWGUJQ-JQIJEIRASA-N
XLogP2.83
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
4-phenylmethoxybenzoic acid
CID 68896574
2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid
CID 143463718
4-(fluoromethoxy)benzoic acid
CID 21180271
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-(2-imino-2-phenylethyl)benzoic acid
CID 91037866
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644

Frequently Asked Questions

What is the IUPAC name of 4-(2-imino-2-phenylethoxy)benzoic acid?
The IUPAC name of 4-(2-imino-2-phenylethoxy)benzoic acid (CID 91226925) is 4-(2-imino-2-phenylethoxy)benzoic acid.
What is the SMILES notation for 4-(2-imino-2-phenylethoxy)benzoic acid?
The canonical SMILES for 4-(2-imino-2-phenylethoxy)benzoic acid is [H]/N=C(\COc1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-(2-imino-2-phenylethoxy)benzoic acid?
The InChIKey is ULADHBDALWGUJQ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H13NO3/c16-14(11-4-2-1-3-5-11)10-19-13-8-6-12(7-9-13)15(17)18/h1-9,16H,10H2,(H,17,18)/b16-14+.
What are the key properties of 4-(2-imino-2-phenylethoxy)benzoic acid?
4-(2-imino-2-phenylethoxy)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imino-2-phenylethoxy)benzoic acid is sourced from PubChem (CID 91226925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).