ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate

C21H20O7 — CID 141212404

IUPACethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H20O7/c1-4-26-20(25)21(2,3)28-19-14(23)11-16-17(18(19)24)13(22)10-15(27-16)12-8-6-5-7-9-12/h5-11,23-24H,4H2,1-3H3
InChIKeyCUZLTWATYJLDQU-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.59
Rot. Bonds5

About ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate

ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate (PubChem CID 141212404) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
PubChem CID141212404
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Nameethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H20O7/c1-4-26-20(25)21(2,3)28-19-14(23)11-16-17(18(19)24)13(22)10-15(27-16)12-8-6-5-7-9-12/h5-11,23-24H,4H2,1-3H3
InChIKeyCUZLTWATYJLDQU-UHFFFAOYSA-N
XLogP3.59
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
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
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
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753
(2S,3S,4R,5R,6S)-6-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 22524508
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate?
The IUPAC name of ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate (CID 141212404) is ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate?
The InChIKey is CUZLTWATYJLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O7/c1-4-26-20(25)21(2,3)28-19-14(23)11-16-17(18(19)24)13(22)10-15(27-16)12-8-6-5-7-9-12/h5-11,23-24H,4H2,1-3H3.
What are the key properties of ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate?
ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate has a molecular weight of 384.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-dihydroxy-4-oxo-2-phenylchromen-6-yl)oxy-2-methylpropanoate is sourced from PubChem (CID 141212404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).