1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one

C20H15NO3 — CID 11347662

IUPAC1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CNc2ccc(O)cc2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C20H15NO3/c22-16-8-6-15(7-9-16)21-12-14-11-19(23)24-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-11,21-22H,12H2
InChIKeyDYUIQAKAWIGSEC-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.26
Rot. Bonds3

About 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one

1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one (PubChem CID 11347662) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one
PubChem CID11347662
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CNc2ccc(O)cc2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C20H15NO3/c22-16-8-6-15(7-9-16)21-12-14-11-19(23)24-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-11,21-22H,12H2
InChIKeyDYUIQAKAWIGSEC-UHFFFAOYSA-N
XLogP4.26
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzo[f]chromen-3-one
CID 8689958
1-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methyl]benzo[f]chromen-3-one
CID 9265729
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
1-[[(4-fluorophenyl)methylamino]methyl]benzo[f]chromen-3-one
CID 9256557
1-[[3-(tert-butylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 9262898
(3-oxobenzo[f]chromen-1-yl)methyl 4-acetamidobenzoate
CID 4802726
1-[[3-(dimethylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 4858068
methyl 4-[(3-oxobenzo[f]chromen-1-yl)methylamino]butanoate
CID 9262893
dimethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8931831
[2-(methylamino)-2-oxoethyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8772091
1-[[[(2R)-1-methoxypropan-2-yl]amino]methyl]benzo[f]chromen-3-one
CID 9265711
4-methyl-N-[(3-oxobenzo[f]chromen-1-yl)methyl]benzenesulfonamide
CID 10068277

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one?
The IUPAC name of 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one (CID 11347662) is 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one.
What is the SMILES notation for 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one?
The canonical SMILES for 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one is O=c1cc(CNc2ccc(O)cc2)c2c(ccc3ccccc32)o1.
What is the InChIKey of 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one?
The InChIKey is DYUIQAKAWIGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-16-8-6-15(7-9-16)21-12-14-11-19(23)24-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-11,21-22H,12H2.
What are the key properties of 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one?
1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one has a molecular weight of 317.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one is sourced from PubChem (CID 11347662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).