4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide

C15H15NO3 — CID 174769014

IUPAC4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide
SMILESCCc1ccc(C(N)=O)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C15H15NO3/c1-2-9-5-8-12(15(16)19)14(18)13(9)10-3-6-11(17)7-4-10/h3-8,17-18H,2H2,1H3,(H2,16,19)
InChIKeyRYOBXHJHYQVUPP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.43
Rot. Bonds3

About 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide

4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide (PubChem CID 174769014) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide
PubChem CID174769014
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide
SMILESCCc1ccc(C(N)=O)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C15H15NO3/c1-2-9-5-8-12(15(16)19)14(18)13(9)10-3-6-11(17)7-4-10/h3-8,17-18H,2H2,1H3,(H2,16,19)
InChIKeyRYOBXHJHYQVUPP-UHFFFAOYSA-N
XLogP2.43
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide (CID 174769014) is 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide is CCc1ccc(C(N)=O)c(O)c1-c1ccc(O)cc1.
What is the InChIKey of 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide?
The InChIKey is RYOBXHJHYQVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-9-5-8-12(15(16)19)14(18)13(9)10-3-6-11(17)7-4-10/h3-8,17-18H,2H2,1H3,(H2,16,19).
What are the key properties of 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide?
4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-3-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 174769014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).