4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one

C23H19NO4 — CID 6540230

IUPAC4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3cccc(-c4cccc(N)c4)c3)cc(=O)oc2c1
InChIInChI=1S/C23H19NO4/c1-26-18-11-20(27-2)23-19(13-22(25)28-21(23)12-18)16-7-3-5-14(9-16)15-6-4-8-17(24)10-15/h3-13H,24H2,1-2H3
InChIKeyMRAGZWIZZMAAIK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.73
Rot. Bonds4

About 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one

4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one (PubChem CID 6540230) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one
PubChem CID6540230
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3cccc(-c4cccc(N)c4)c3)cc(=O)oc2c1
InChIInChI=1S/C23H19NO4/c1-26-18-11-20(27-2)23-19(13-22(25)28-21(23)12-18)16-7-3-5-14(9-16)15-6-4-8-17(24)10-15/h3-13H,24H2,1-2H3
InChIKeyMRAGZWIZZMAAIK-UHFFFAOYSA-N
XLogP4.73
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one?
The IUPAC name of 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one (CID 6540230) is 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one?
The canonical SMILES for 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one is COc1cc(OC)c2c(-c3cccc(-c4cccc(N)c4)c3)cc(=O)oc2c1.
What is the InChIKey of 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one?
The InChIKey is MRAGZWIZZMAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-26-18-11-20(27-2)23-19(13-22(25)28-21(23)12-18)16-7-3-5-14(9-16)15-6-4-8-17(24)10-15/h3-13H,24H2,1-2H3.
What are the key properties of 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one?
4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one has a molecular weight of 373.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminophenyl)phenyl]-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 6540230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).