2-anilinopropyl 3-hydroxybenzoate

C16H17NO3 — CID 15535543

IUPAC2-anilinopropyl 3-hydroxybenzoate
SMILESCC(COC(=O)c1cccc(O)c1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c1-12(17-14-7-3-2-4-8-14)11-20-16(19)13-6-5-9-15(18)10-13/h2-10,12,17-18H,11H2,1H3
InChIKeyZEKMYYPALQMKQK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.05
Rot. Bonds5

About 2-anilinopropyl 3-hydroxybenzoate

2-anilinopropyl 3-hydroxybenzoate (PubChem CID 15535543) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-anilinopropyl 3-hydroxybenzoate.

Molecular Properties

Compound Name2-anilinopropyl 3-hydroxybenzoate
PubChem CID15535543
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-anilinopropyl 3-hydroxybenzoate
SMILESCC(COC(=O)c1cccc(O)c1)Nc1ccccc1
InChIInChI=1S/C16H17NO3/c1-12(17-14-7-3-2-4-8-14)11-20-16(19)13-6-5-9-15(18)10-13/h2-10,12,17-18H,11H2,1H3
InChIKeyZEKMYYPALQMKQK-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilinopropyl 3-hydroxybenzoate?
The IUPAC name of 2-anilinopropyl 3-hydroxybenzoate (CID 15535543) is 2-anilinopropyl 3-hydroxybenzoate.
What is the SMILES notation for 2-anilinopropyl 3-hydroxybenzoate?
The canonical SMILES for 2-anilinopropyl 3-hydroxybenzoate is CC(COC(=O)c1cccc(O)c1)Nc1ccccc1.
What is the InChIKey of 2-anilinopropyl 3-hydroxybenzoate?
The InChIKey is ZEKMYYPALQMKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(17-14-7-3-2-4-8-14)11-20-16(19)13-6-5-9-15(18)10-13/h2-10,12,17-18H,11H2,1H3.
What are the key properties of 2-anilinopropyl 3-hydroxybenzoate?
2-anilinopropyl 3-hydroxybenzoate has a molecular weight of 271.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopropyl 3-hydroxybenzoate is sourced from PubChem (CID 15535543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).