3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one

C18H16O5 — CID 5415951

IUPAC3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C18H16O5/c1-3-21-13-5-7-14(8-6-13)23-18-11(2)22-16-10-12(19)4-9-15(16)17(18)20/h4-10,19H,3H2,1-2H3
InChIKeyGBWNFRWGWDHFBF-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one

3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one (PubChem CID 5415951) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
PubChem CID5415951
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C18H16O5/c1-3-21-13-5-7-14(8-6-13)23-18-11(2)22-16-10-12(19)4-9-15(16)17(18)20/h4-10,19H,3H2,1-2H3
InChIKeyGBWNFRWGWDHFBF-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
CID 7140108
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
ethyl 4-[2-methyl-7-[(4-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2000239
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
CID 5398995
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one (CID 5415951) is 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one is CCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one?
The InChIKey is GBWNFRWGWDHFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-21-13-5-7-14(8-6-13)23-18-11(2)22-16-10-12(19)4-9-15(16)17(18)20/h4-10,19H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one?
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 5415951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).