6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one

C18H16O5 — CID 11209160

IUPAC6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
SMILESCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C18H16O5/c1-3-22-18-15(21-2)10-14-16(17(18)20)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10,20H,3H2,1-2H3
InChIKeyTYAMKRYNYPAZIZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.57
Rot. Bonds4

About 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one

6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one (PubChem CID 11209160) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
PubChem CID11209160
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
SMILESCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C18H16O5/c1-3-22-18-15(21-2)10-14-16(17(18)20)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10,20H,3H2,1-2H3
InChIKeyTYAMKRYNYPAZIZ-UHFFFAOYSA-N
XLogP3.57
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364
5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 175061039
ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
CID 141212404

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one?
The IUPAC name of 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one (CID 11209160) is 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one.
What is the SMILES notation for 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one?
The canonical SMILES for 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one is CCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one?
The InChIKey is TYAMKRYNYPAZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-22-18-15(21-2)10-14-16(17(18)20)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10,20H,3H2,1-2H3.
What are the key properties of 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one?
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one is sourced from PubChem (CID 11209160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).