methyl 4-amino-3-phenylmethoxybenzoate

C15H15NO3 — CID 25052945

IUPACmethyl 4-amino-3-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-18-15(17)12-7-8-13(16)14(9-12)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChIKeyIZHWXUWIXVXUDM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.63
Rot. Bonds4

About methyl 4-amino-3-phenylmethoxybenzoate

methyl 4-amino-3-phenylmethoxybenzoate (PubChem CID 25052945) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-amino-3-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-phenylmethoxybenzoate
PubChem CID25052945
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-amino-3-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO3/c1-18-15(17)12-7-8-13(16)14(9-12)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChIKeyIZHWXUWIXVXUDM-UHFFFAOYSA-N
XLogP2.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-phenylmethoxybenzoate?
The IUPAC name of methyl 4-amino-3-phenylmethoxybenzoate (CID 25052945) is methyl 4-amino-3-phenylmethoxybenzoate.
What is the SMILES notation for methyl 4-amino-3-phenylmethoxybenzoate?
The canonical SMILES for methyl 4-amino-3-phenylmethoxybenzoate is COC(=O)c1ccc(N)c(OCc2ccccc2)c1.
What is the InChIKey of methyl 4-amino-3-phenylmethoxybenzoate?
The InChIKey is IZHWXUWIXVXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-15(17)12-7-8-13(16)14(9-12)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3.
What are the key properties of methyl 4-amino-3-phenylmethoxybenzoate?
methyl 4-amino-3-phenylmethoxybenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-phenylmethoxybenzoate is sourced from PubChem (CID 25052945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).