6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one

C23H27NO3 — CID 14982953

IUPAC6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C23H27NO3/c1-24(2)14-8-3-4-9-15-26-19-12-13-22-20(16-19)21(25)17-23(27-22)18-10-6-5-7-11-18/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3
InChIKeyXAJUVMJPSQZNDC-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.96
Rot. Bonds9

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

6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one (PubChem CID 14982953) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one
PubChem CID14982953
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C23H27NO3/c1-24(2)14-8-3-4-9-15-26-19-12-13-22-20(16-19)21(25)17-23(27-22)18-10-6-5-7-11-18/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3
InChIKeyXAJUVMJPSQZNDC-UHFFFAOYSA-N
XLogP4.96
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.96
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-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one (CID 14982953) is 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one is CN(C)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one?
The InChIKey is XAJUVMJPSQZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-24(2)14-8-3-4-9-15-26-19-12-13-22-20(16-19)21(25)17-23(27-22)18-10-6-5-7-11-18/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3.
What are the key properties of 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one?
6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)hexoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).