5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one

C23H26O6 — CID 141482087

IUPAC5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
SMILESCCOCCOc1cc(OCCOCC)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C23H26O6/c1-3-25-10-12-27-18-14-21(28-13-11-26-4-2)23-19(24)16-20(29-22(23)15-18)17-8-6-5-7-9-17/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyXGJYNDJNDOZESV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.29
Rot. Bonds11

About 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one

5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one (PubChem CID 141482087) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
PubChem CID141482087
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
SMILESCCOCCOc1cc(OCCOCC)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C23H26O6/c1-3-25-10-12-27-18-14-21(28-13-11-26-4-2)23-19(24)16-20(29-22(23)15-18)17-8-6-5-7-9-17/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyXGJYNDJNDOZESV-UHFFFAOYSA-N
XLogP4.29
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,7-bis(2-ethoxyethoxy)-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

5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
5-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-phenylchromen-4-one
CID 15896566
5,7-dipropoxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 10476419
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-(3-chloropropoxy)-2-phenylchromen-4-one
CID 14982930
5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
CID 86038552
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one?
The IUPAC name of 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one (CID 141482087) is 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one is CCOCCOc1cc(OCCOCC)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one?
The InChIKey is XGJYNDJNDOZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-3-25-10-12-27-18-14-21(28-13-11-26-4-2)23-19(24)16-20(29-22(23)15-18)17-8-6-5-7-9-17/h5-9,14-16H,3-4,10-13H2,1-2H3.
What are the key properties of 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one?
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one has a molecular weight of 398.46 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 141482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).