[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone

C15H15NO4 — CID 11780692

IUPAC[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c(NCCO)c1O
InChIInChI=1S/C15H15NO4/c17-9-8-16-13-12(18)7-6-11(15(13)20)14(19)10-4-2-1-3-5-10/h1-7,16-18,20H,8-9H2
InChIKeyDMLJBTQHALHJAA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.73
Rot. Bonds5

About [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone

[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone (PubChem CID 11780692) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone
PubChem CID11780692
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c(NCCO)c1O
InChIInChI=1S/C15H15NO4/c17-9-8-16-13-12(18)7-6-11(15(13)20)14(19)10-4-2-1-3-5-10/h1-7,16-18,20H,8-9H2
InChIKeyDMLJBTQHALHJAA-UHFFFAOYSA-N
XLogP1.73
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone?
The IUPAC name of [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone (CID 11780692) is [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(O)c(NCCO)c1O.
What is the InChIKey of [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone?
The InChIKey is DMLJBTQHALHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-9-8-16-13-12(18)7-6-11(15(13)20)14(19)10-4-2-1-3-5-10/h1-7,16-18,20H,8-9H2.
What are the key properties of [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone?
[2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone has a molecular weight of 273.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dihydroxy-3-(2-hydroxyethylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 11780692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).