6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one

C27H35NO3 — CID 14982957

IUPAC6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C27H35NO3/c1-28(2)18-12-7-5-3-4-6-8-13-19-30-23-16-17-26-24(20-23)25(29)21-27(31-26)22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3
InChIKeyBPNSQEIRCIDVME-UHFFFAOYSA-N
MW421.58 g/mol
LogP6.52
Rot. Bonds13

About 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one

6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one (PubChem CID 14982957) has the molecular formula C27H35NO3 and a molecular weight of 421.58 g/mol. Its IUPAC name is 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one
PubChem CID14982957
Molecular FormulaC27H35NO3
Molecular Weight421.58 g/mol
Exact Mass421.26
IUPAC Name6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one
SMILESCN(C)CCCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C27H35NO3/c1-28(2)18-12-7-5-3-4-6-8-13-19-30-23-16-17-26-24(20-23)25(29)21-27(31-26)22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3
InChIKeyBPNSQEIRCIDVME-UHFFFAOYSA-N
XLogP6.52
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one (CID 14982957) is 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one is CN(C)CCCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one?
The InChIKey is BPNSQEIRCIDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO3/c1-28(2)18-12-7-5-3-4-6-8-13-19-30-23-16-17-26-24(20-23)25(29)21-27(31-26)22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3.
What are the key properties of 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one?
6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one has a molecular weight of 421.58 g/mol, XLogP of 6.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(dimethylamino)decoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).