1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone

C15H15NO2 — CID 3042999

IUPAC1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone
SMILESCNc1ccc(C(=O)Cc2ccccc2)cc1O
InChIInChI=1S/C15H15NO2/c1-16-13-8-7-12(10-15(13)18)14(17)9-11-5-3-2-4-6-11/h2-8,10,16,18H,9H2,1H3
InChIKeyMJBVMYYUTKRHQL-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone

1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone (PubChem CID 3042999) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone
PubChem CID3042999
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone
SMILESCNc1ccc(C(=O)Cc2ccccc2)cc1O
InChIInChI=1S/C15H15NO2/c1-16-13-8-7-12(10-15(13)18)14(17)9-11-5-3-2-4-6-11/h2-8,10,16,18H,9H2,1H3
InChIKeyMJBVMYYUTKRHQL-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone?
The IUPAC name of 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone (CID 3042999) is 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone is CNc1ccc(C(=O)Cc2ccccc2)cc1O.
What is the InChIKey of 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone?
The InChIKey is MJBVMYYUTKRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-13-8-7-12(10-15(13)18)14(17)9-11-5-3-2-4-6-11/h2-8,10,16,18H,9H2,1H3.
What are the key properties of 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone?
1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone has a molecular weight of 241.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone is sourced from PubChem (CID 3042999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).