6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one

C26H33NO3 — CID 14982956

IUPAC6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C26H33NO3/c1-27(2)17-11-6-4-3-5-7-12-18-29-22-15-16-25-23(19-22)24(28)20-26(30-25)21-13-9-8-10-14-21/h8-10,13-16,19-20H,3-7,11-12,17-18H2,1-2H3
InChIKeyFWYUTSUWWZVOGD-UHFFFAOYSA-N
MW407.55 g/mol
LogP6.13
Rot. Bonds12

About 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one

6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one (PubChem CID 14982956) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one
PubChem CID14982956
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C26H33NO3/c1-27(2)17-11-6-4-3-5-7-12-18-29-22-15-16-25-23(19-22)24(28)20-26(30-25)21-13-9-8-10-14-21/h8-10,13-16,19-20H,3-7,11-12,17-18H2,1-2H3
InChIKeyFWYUTSUWWZVOGD-UHFFFAOYSA-N
XLogP6.13
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 56.13
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-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one (CID 14982956) is 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one is CN(C)CCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one?
The InChIKey is FWYUTSUWWZVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-27(2)17-11-6-4-3-5-7-12-18-29-22-15-16-25-23(19-22)24(28)20-26(30-25)21-13-9-8-10-14-21/h8-10,13-16,19-20H,3-7,11-12,17-18H2,1-2H3.
What are the key properties of 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one?
6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one has a molecular weight of 407.55 g/mol, XLogP of 6.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(dimethylamino)nonoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).