3-(3-amino-2-phenylmethoxyphenyl)benzoic acid

C20H17NO3 — CID 141486571

IUPAC3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
SMILESNc1cccc(-c2cccc(C(=O)O)c2)c1OCc1ccccc1
InChIInChI=1S/C20H17NO3/c21-18-11-5-10-17(15-8-4-9-16(12-15)20(22)23)19(18)24-13-14-6-2-1-3-7-14/h1-12H,13,21H2,(H,22,23)
InChIKeyHAGVSDIRAONEGR-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.21
Rot. Bonds5

About 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid

3-(3-amino-2-phenylmethoxyphenyl)benzoic acid (PubChem CID 141486571) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
PubChem CID141486571
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
SMILESNc1cccc(-c2cccc(C(=O)O)c2)c1OCc1ccccc1
InChIInChI=1S/C20H17NO3/c21-18-11-5-10-17(15-8-4-9-16(12-15)20(22)23)19(18)24-13-14-6-2-1-3-7-14/h1-12H,13,21H2,(H,22,23)
InChIKeyHAGVSDIRAONEGR-UHFFFAOYSA-N
XLogP4.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
CID 57483789
3-(5-chloro-3-nitro-2-phenylmethoxyphenyl)benzoic acid;ethane
CID 144892144
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
CID 11429983
3-[3-[(1S,2R)-2-[(2-amino-2-oxoethyl)amino]cyclopropyl]-2-phenylmethoxyphenyl]benzamide
CID 67115928
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[2-[(dibenzylamino)methyl]phenyl]benzoic acid
CID 68518808
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid (CID 141486571) is 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid is Nc1cccc(-c2cccc(C(=O)O)c2)c1OCc1ccccc1.
What is the InChIKey of 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid?
The InChIKey is HAGVSDIRAONEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c21-18-11-5-10-17(15-8-4-9-16(12-15)20(22)23)19(18)24-13-14-6-2-1-3-7-14/h1-12H,13,21H2,(H,22,23).
What are the key properties of 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid?
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 141486571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).