2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide

C14H13NO4 — CID 103890666

IUPAC2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2c(O)cccc2O)ccc1O
InChIInChI=1S/C14H13NO4/c1-8-7-9(5-6-10(8)16)15-14(19)13-11(17)3-2-4-12(13)18/h2-7,16-18H,1H3,(H,15,19)
InChIKeyZNLYFOCTLNNOTP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.36
Rot. Bonds2

About 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide

2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide (PubChem CID 103890666) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
PubChem CID103890666
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2c(O)cccc2O)ccc1O
InChIInChI=1S/C14H13NO4/c1-8-7-9(5-6-10(8)16)15-14(19)13-11(17)3-2-4-12(13)18/h2-7,16-18H,1H3,(H,15,19)
InChIKeyZNLYFOCTLNNOTP-UHFFFAOYSA-N
XLogP2.36
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 6457614
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide (CID 103890666) is 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2c(O)cccc2O)ccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide?
The InChIKey is ZNLYFOCTLNNOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-7-9(5-6-10(8)16)15-14(19)13-11(17)3-2-4-12(13)18/h2-7,16-18H,1H3,(H,15,19).
What are the key properties of 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide?
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide has a molecular weight of 259.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide is sourced from PubChem (CID 103890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).