2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one

C23H21NO3 — CID 122422283

IUPAC2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one
SMILESCCN(CC)c1ccc(-c2oc3cc4ccccc4cc3c(=O)c2O)cc1
InChIInChI=1S/C23H21NO3/c1-3-24(4-2)18-11-9-15(10-12-18)23-22(26)21(25)19-13-16-7-5-6-8-17(16)14-20(19)27-23/h5-14,26H,3-4H2,1-2H3
InChIKeyOBYZZGFUBNNRKM-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.16
Rot. Bonds4

About 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one

2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one (PubChem CID 122422283) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one
PubChem CID122422283
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one
SMILESCCN(CC)c1ccc(-c2oc3cc4ccccc4cc3c(=O)c2O)cc1
InChIInChI=1S/C23H21NO3/c1-3-24(4-2)18-11-9-15(10-12-18)23-22(26)21(25)19-13-16-7-5-6-8-17(16)14-20(19)27-23/h5-14,26H,3-4H2,1-2H3
InChIKeyOBYZZGFUBNNRKM-UHFFFAOYSA-N
XLogP5.16
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-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

3-methoxy-N-(4-methylphenyl)-2-naphthamide
CID 790572
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
2-[4-(Dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
2-(4-Pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56945190
2-[4-(Dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
CID 56945192
2-[4-(Dimethylamino)phenyl]benzo[h]chromen-4-one
CID 56945194
3-Hydroxy-6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 56945294
3-Hydroxy-2-[3-hydroxy-4-(1-pyrrolidinyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
CID 56945296
3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
CID 56945298
3-Hydroxy-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56946829
4'-Dimethylaminoflavonol
CID 624630
(4-Dimethylamino-phenyl)-(4-methoxy-naphthalen-1-yl)-methanone
CID 815403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one (CID 122422283) is 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one is CCN(CC)c1ccc(-c2oc3cc4ccccc4cc3c(=O)c2O)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one?
The InChIKey is OBYZZGFUBNNRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-3-24(4-2)18-11-9-15(10-12-18)23-22(26)21(25)19-13-16-7-5-6-8-17(16)14-20(19)27-23/h5-14,26H,3-4H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one?
2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one has a molecular weight of 359.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-3-hydroxybenzo[g]chromen-4-one is sourced from PubChem (CID 122422283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).