6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one

C22H25NO3 — CID 14982952

IUPAC6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H25NO3/c1-23(2)13-7-4-8-14-25-18-11-12-21-19(15-18)20(24)16-22(26-21)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3
InChIKeyDKSDLSUPQYIZAA-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.57
Rot. Bonds8

About 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one

6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one (PubChem CID 14982952) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one
PubChem CID14982952
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C22H25NO3/c1-23(2)13-7-4-8-14-25-18-11-12-21-19(15-18)20(24)16-22(26-21)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3
InChIKeyDKSDLSUPQYIZAA-UHFFFAOYSA-N
XLogP4.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.57
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-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one (CID 14982952) is 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one is CN(C)CCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one?
The InChIKey is DKSDLSUPQYIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-23(2)13-7-4-8-14-25-18-11-12-21-19(15-18)20(24)16-22(26-21)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,4,7-8,13-14H2,1-2H3.
What are the key properties of 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one?
6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one has a molecular weight of 351.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dimethylamino)pentoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).