2-hydroxy-5,6-dimethoxy-3-propylbenzamide

C12H17NO4 — CID 18625107

IUPAC2-hydroxy-5,6-dimethoxy-3-propylbenzamide
SMILESCCCc1cc(OC)c(OC)c(C(N)=O)c1O
InChIInChI=1S/C12H17NO4/c1-4-5-7-6-8(16-2)11(17-3)9(10(7)14)12(13)15/h6,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyBFOFOGCOQNMYKJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.46
Rot. Bonds5

About 2-hydroxy-5,6-dimethoxy-3-propylbenzamide

2-hydroxy-5,6-dimethoxy-3-propylbenzamide (PubChem CID 18625107) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-5,6-dimethoxy-3-propylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5,6-dimethoxy-3-propylbenzamide
PubChem CID18625107
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxy-5,6-dimethoxy-3-propylbenzamide
SMILESCCCc1cc(OC)c(OC)c(C(N)=O)c1O
InChIInChI=1S/C12H17NO4/c1-4-5-7-6-8(16-2)11(17-3)9(10(7)14)12(13)15/h6,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyBFOFOGCOQNMYKJ-UHFFFAOYSA-N
XLogP1.46
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,6-dimethoxy-3-propylbenzamide?
The IUPAC name of 2-hydroxy-5,6-dimethoxy-3-propylbenzamide (CID 18625107) is 2-hydroxy-5,6-dimethoxy-3-propylbenzamide.
What is the SMILES notation for 2-hydroxy-5,6-dimethoxy-3-propylbenzamide?
The canonical SMILES for 2-hydroxy-5,6-dimethoxy-3-propylbenzamide is CCCc1cc(OC)c(OC)c(C(N)=O)c1O.
What is the InChIKey of 2-hydroxy-5,6-dimethoxy-3-propylbenzamide?
The InChIKey is BFOFOGCOQNMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-5-7-6-8(16-2)11(17-3)9(10(7)14)12(13)15/h6,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 2-hydroxy-5,6-dimethoxy-3-propylbenzamide?
2-hydroxy-5,6-dimethoxy-3-propylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,6-dimethoxy-3-propylbenzamide is sourced from PubChem (CID 18625107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).