6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one

C24H29NO3 — CID 14982954

IUPAC6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C24H29NO3/c1-25(2)15-9-4-3-5-10-16-27-20-13-14-23-21(17-20)22(26)18-24(28-23)19-11-7-6-8-12-19/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3
InChIKeyJQMFSLWEODIEAO-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.35
Rot. Bonds10

About 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one

6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one (PubChem CID 14982954) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one
PubChem CID14982954
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C24H29NO3/c1-25(2)15-9-4-3-5-10-16-27-20-13-14-23-21(17-20)22(26)18-24(28-23)19-11-7-6-8-12-19/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3
InChIKeyJQMFSLWEODIEAO-UHFFFAOYSA-N
XLogP5.35
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one (CID 14982954) is 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one is CN(C)CCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one?
The InChIKey is JQMFSLWEODIEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-25(2)15-9-4-3-5-10-16-27-20-13-14-23-21(17-20)22(26)18-24(28-23)19-11-7-6-8-12-19/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3.
What are the key properties of 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one?
6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one has a molecular weight of 379.50 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(dimethylamino)heptoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).