7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one

C25H31NO3 — CID 71603074

IUPAC7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one
SMILESCCN(CC)CCCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C
InChIInChI=1S/C25H31NO3/c1-4-26(5-2)16-10-7-11-17-28-23-15-14-21-22(27)18-24(29-25(21)19(23)3)20-12-8-6-9-13-20/h6,8-9,12-15,18H,4-5,7,10-11,16-17H2,1-3H3
InChIKeyLYXYENKXUDZGBB-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.66
Rot. Bonds10

About 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one

7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one (PubChem CID 71603074) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one
PubChem CID71603074
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one
SMILESCCN(CC)CCCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C
InChIInChI=1S/C25H31NO3/c1-4-26(5-2)16-10-7-11-17-28-23-15-14-21-22(27)18-24(29-25(21)19(23)3)20-12-8-6-9-13-20/h6,8-9,12-15,18H,4-5,7,10-11,16-17H2,1-3H3
InChIKeyLYXYENKXUDZGBB-UHFFFAOYSA-N
XLogP5.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.66
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 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one?
The IUPAC name of 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one (CID 71603074) is 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one?
The canonical SMILES for 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one is CCN(CC)CCCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C.
What is the InChIKey of 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one?
The InChIKey is LYXYENKXUDZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-4-26(5-2)16-10-7-11-17-28-23-15-14-21-22(27)18-24(29-25(21)19(23)3)20-12-8-6-9-13-20/h6,8-9,12-15,18H,4-5,7,10-11,16-17H2,1-3H3.
What are the key properties of 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one?
7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one has a molecular weight of 393.53 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(diethylamino)pentoxy]-8-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 71603074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).