2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone

C15H15NO3 — CID 67924375

IUPAC2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
SMILESCc1ccc(O)c(O)c1NCC(=O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-10-7-8-12(17)15(19)14(10)16-9-13(18)11-5-3-2-4-6-11/h2-8,16-17,19H,9H2,1H3
InChIKeyYOKNMGIMNWEBRX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.70
Rot. Bonds4

About 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone

2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone (PubChem CID 67924375) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
PubChem CID67924375
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
SMILESCc1ccc(O)c(O)c1NCC(=O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-10-7-8-12(17)15(19)14(10)16-9-13(18)11-5-3-2-4-6-11/h2-8,16-17,19H,9H2,1H3
InChIKeyYOKNMGIMNWEBRX-UHFFFAOYSA-N
XLogP2.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.70
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

2-(2-ethyl-6-methylanilino)-1-phenylethanone
CID 94270514
2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
CID 66728197
2-(4-methylanilino)-1-phenylethanone
CID 4230722
3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
CID 171615161
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
2,2-dimethyl-N-phenacylpropane-1-sulfonamide
CID 64994451
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone?
The IUPAC name of 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone (CID 67924375) is 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone.
What is the SMILES notation for 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone?
The canonical SMILES for 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone is Cc1ccc(O)c(O)c1NCC(=O)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone?
The InChIKey is YOKNMGIMNWEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-7-8-12(17)15(19)14(10)16-9-13(18)11-5-3-2-4-6-11/h2-8,16-17,19H,9H2,1H3.
What are the key properties of 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone?
2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone has a molecular weight of 257.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone is sourced from PubChem (CID 67924375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).