2,4-dihydroxy-3-methoxybenzamide

C8H9NO4 — CID 71482611

IUPAC2,4-dihydroxy-3-methoxybenzamide
SMILESCOc1c(O)ccc(C(N)=O)c1O
InChIInChI=1S/C8H9NO4/c1-13-7-5(10)3-2-4(6(7)11)8(9)12/h2-3,10-11H,1H3,(H2,9,12)
InChIKeyMNWIPCLNYWQUBM-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.21
Rot. Bonds2

About 2,4-dihydroxy-3-methoxybenzamide

2,4-dihydroxy-3-methoxybenzamide (PubChem CID 71482611) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2,4-dihydroxy-3-methoxybenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-3-methoxybenzamide
PubChem CID71482611
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2,4-dihydroxy-3-methoxybenzamide
SMILESCOc1c(O)ccc(C(N)=O)c1O
InChIInChI=1S/C8H9NO4/c1-13-7-5(10)3-2-4(6(7)11)8(9)12/h2-3,10-11H,1H3,(H2,9,12)
InChIKeyMNWIPCLNYWQUBM-UHFFFAOYSA-N
XLogP0.21
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-methoxybenzamide?
The IUPAC name of 2,4-dihydroxy-3-methoxybenzamide (CID 71482611) is 2,4-dihydroxy-3-methoxybenzamide.
What is the SMILES notation for 2,4-dihydroxy-3-methoxybenzamide?
The canonical SMILES for 2,4-dihydroxy-3-methoxybenzamide is COc1c(O)ccc(C(N)=O)c1O.
What is the InChIKey of 2,4-dihydroxy-3-methoxybenzamide?
The InChIKey is MNWIPCLNYWQUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-7-5(10)3-2-4(6(7)11)8(9)12/h2-3,10-11H,1H3,(H2,9,12).
What are the key properties of 2,4-dihydroxy-3-methoxybenzamide?
2,4-dihydroxy-3-methoxybenzamide has a molecular weight of 183.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-methoxybenzamide is sourced from PubChem (CID 71482611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).