methyl 4-[(4-hydroxyphenyl)methylamino]benzoate

C15H15NO3 — CID 43321585

IUPACmethyl 4-[(4-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3
InChIKeyFAIJSHISCCJTMI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds4

About methyl 4-[(4-hydroxyphenyl)methylamino]benzoate

methyl 4-[(4-hydroxyphenyl)methylamino]benzoate (PubChem CID 43321585) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-[(4-hydroxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxyphenyl)methylamino]benzoate
PubChem CID43321585
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-[(4-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3
InChIKeyFAIJSHISCCJTMI-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The IUPAC name of methyl 4-[(4-hydroxyphenyl)methylamino]benzoate (CID 43321585) is methyl 4-[(4-hydroxyphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The canonical SMILES for methyl 4-[(4-hydroxyphenyl)methylamino]benzoate is COC(=O)c1ccc(NCc2ccc(O)cc2)cc1.
What is the InChIKey of methyl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The InChIKey is FAIJSHISCCJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3.
What are the key properties of methyl 4-[(4-hydroxyphenyl)methylamino]benzoate?
methyl 4-[(4-hydroxyphenyl)methylamino]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43321585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).