6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one

C25H29NO4 — CID 14982971

IUPAC6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCOCC3)cc12
InChIInChI=1S/C25H29NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h3-5,8-11,18-19H,1-2,6-7,12-17H2
InChIKeyLMLOVKBFKXDYEE-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.73
Rot. Bonds9

About 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one

6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one (PubChem CID 14982971) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one
PubChem CID14982971
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCOCC3)cc12
InChIInChI=1S/C25H29NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h3-5,8-11,18-19H,1-2,6-7,12-17H2
InChIKeyLMLOVKBFKXDYEE-UHFFFAOYSA-N
XLogP4.73
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(6-morpholin-4-ylhexoxy)-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

Related Compounds

Flavoxate
CID 3354
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Flavoxate Hydrochloride
CID 441345
Etafenone
CID 3275
6,3'-Dimethoxyflavone
CID 676293
Polysulfide rubber
CID 2856734
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
CID 5319482
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 73353526
1-Propanone, 3-(4-morpholinyl)-1-(4-(phenylmethoxy)phenyl)-, hydrochloride
CID 2807057
3-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 2838196

Frequently Asked Questions

What is the IUPAC name of 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one?
The IUPAC name of 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one (CID 14982971) is 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one?
The canonical SMILES for 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCOCC3)cc12.
What is the InChIKey of 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one?
The InChIKey is LMLOVKBFKXDYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h3-5,8-11,18-19H,1-2,6-7,12-17H2.
What are the key properties of 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one?
6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one has a molecular weight of 407.51 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-morpholin-4-ylhexoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 14982971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).