2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide

C11H15NO4 — CID 145120654

IUPAC2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide
SMILESCc1cc(OC(C)C)c(O)c(O)c1C(N)=O
InChIInChI=1S/C11H15NO4/c1-5(2)16-7-4-6(3)8(11(12)15)10(14)9(7)13/h4-5,13-14H,1-3H3,(H2,12,15)
InChIKeyNBZPSBGFZVFLNA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.29
Rot. Bonds3

About 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide

2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide (PubChem CID 145120654) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide
PubChem CID145120654
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide
SMILESCc1cc(OC(C)C)c(O)c(O)c1C(N)=O
InChIInChI=1S/C11H15NO4/c1-5(2)16-7-4-6(3)8(11(12)15)10(14)9(7)13/h4-5,13-14H,1-3H3,(H2,12,15)
InChIKeyNBZPSBGFZVFLNA-UHFFFAOYSA-N
XLogP1.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
2-chloro-1-(2,3,6-trimethyl-4-propan-2-yloxyphenyl)ethanone
CID 82266293
2-ethyl-3,6-dimethyl-4-propan-2-yloxyphenol
CID 162375132
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
4-amino-2-propan-2-yloxybenzamide
CID 53495725
4-hydroxy-2,3,6-trimethylbenzamide
CID 95423610
4-fluoro-5-methyl-2-propan-2-yloxyphenol
CID 125116043
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-fluoro-4-methyl-2-propan-2-yloxybenzenecarbothioamide
CID 22955942
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide (CID 145120654) is 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide is Cc1cc(OC(C)C)c(O)c(O)c1C(N)=O.
What is the InChIKey of 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide?
The InChIKey is NBZPSBGFZVFLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-5(2)16-7-4-6(3)8(11(12)15)10(14)9(7)13/h4-5,13-14H,1-3H3,(H2,12,15).
What are the key properties of 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide?
2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide has a molecular weight of 225.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 145120654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).