[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone

C14H13NO2 — CID 3042973

IUPAC[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C14H13NO2/c1-15-12-8-7-11(9-13(12)16)14(17)10-5-3-2-4-6-10/h2-9,15-16H,1H3
InChIKeyXVIIAMVONPQTRS-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.66
Rot. Bonds3

About [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone

[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone (PubChem CID 3042973) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone
PubChem CID3042973
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C14H13NO2/c1-15-12-8-7-11(9-13(12)16)14(17)10-5-3-2-4-6-10/h2-9,15-16H,1H3
InChIKeyXVIIAMVONPQTRS-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.66
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 [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone?
The IUPAC name of [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone (CID 3042973) is [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone?
The canonical SMILES for [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone is CNc1ccc(C(=O)c2ccccc2)cc1O.
What is the InChIKey of [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone?
The InChIKey is XVIIAMVONPQTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15-12-8-7-11(9-13(12)16)14(17)10-5-3-2-4-6-10/h2-9,15-16H,1H3.
What are the key properties of [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone?
[3-hydroxy-4-(methylamino)phenyl]-phenylmethanone has a molecular weight of 227.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(methylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 3042973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).