4-hydroxy-10-propyliminoanthracen-9-one

C17H15NO2 — CID 137209055

IUPAC4-hydroxy-10-propyliminoanthracen-9-one
SMILESCCC/N=C1\c2ccccc2C(=O)c2cccc(O)c21
InChIInChI=1S/C17H15NO2/c1-2-10-18-16-11-6-3-4-7-12(11)17(20)13-8-5-9-14(19)15(13)16/h3-9,19H,2,10H2,1H3/b18-16+
InChIKeyDBWXUFLJTUJJMH-FBMGVBCBSA-N
MW265.31 g/mol
LogP3.18
Rot. Bonds2

About 4-hydroxy-10-propyliminoanthracen-9-one

4-hydroxy-10-propyliminoanthracen-9-one (PubChem CID 137209055) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-10-propyliminoanthracen-9-one.

Molecular Properties

Compound Name4-hydroxy-10-propyliminoanthracen-9-one
PubChem CID137209055
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-hydroxy-10-propyliminoanthracen-9-one
SMILESCCC/N=C1\c2ccccc2C(=O)c2cccc(O)c21
InChIInChI=1S/C17H15NO2/c1-2-10-18-16-11-6-3-4-7-12(11)17(20)13-8-5-9-14(19)15(13)16/h3-9,19H,2,10H2,1H3/b18-16+
InChIKeyDBWXUFLJTUJJMH-FBMGVBCBSA-N
XLogP3.18
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10-propyliminoanthracen-9-one?
The IUPAC name of 4-hydroxy-10-propyliminoanthracen-9-one (CID 137209055) is 4-hydroxy-10-propyliminoanthracen-9-one.
What is the SMILES notation for 4-hydroxy-10-propyliminoanthracen-9-one?
The canonical SMILES for 4-hydroxy-10-propyliminoanthracen-9-one is CCC/N=C1\c2ccccc2C(=O)c2cccc(O)c21.
What is the InChIKey of 4-hydroxy-10-propyliminoanthracen-9-one?
The InChIKey is DBWXUFLJTUJJMH-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-10-18-16-11-6-3-4-7-12(11)17(20)13-8-5-9-14(19)15(13)16/h3-9,19H,2,10H2,1H3/b18-16+.
What are the key properties of 4-hydroxy-10-propyliminoanthracen-9-one?
4-hydroxy-10-propyliminoanthracen-9-one has a molecular weight of 265.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10-propyliminoanthracen-9-one is sourced from PubChem (CID 137209055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).