ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one

C21H26O5 — CID 145053465

IUPACethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
SMILESCC.CC.CCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C17H14O5.2C2H6/c1-2-21-17-12(19)9-14-15(16(17)20)11(18)8-13(22-14)10-6-4-3-5-7-10;2*1-2/h3-9,19-20H,2H2,1H3;2*1-2H3
InChIKeyXICOPAYWDGRJFP-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.32
Rot. Bonds3

About ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one

ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 145053465) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Nameethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID145053465
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Nameethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
SMILESCC.CC.CCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C17H14O5.2C2H6/c1-2-21-17-12(19)9-14-15(16(17)20)11(18)8-13(22-14)10-6-4-3-5-7-10;2*1-2/h3-9,19-20H,2H2,1H3;2*1-2H3
InChIKeyXICOPAYWDGRJFP-UHFFFAOYSA-N
XLogP5.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;6-ethoxy-5,7-dihydroxy-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

6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
CID 141212404
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 175061039
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5-(3-aminopropoxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 174923932
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one (CID 145053465) is ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one is CC.CC.CCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is XICOPAYWDGRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5.2C2H6/c1-2-21-17-12(19)9-14-15(16(17)20)11(18)8-13(22-14)10-6-4-3-5-7-10;2*1-2/h3-9,19-20H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one?
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 358.43 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 145053465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).