3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one

C19H18O4 — CID 5398995

IUPAC3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
SMILESCCc1oc2cc(O)ccc2c(=O)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C19H18O4/c1-4-16-19(22-14-8-11(2)7-12(3)9-14)18(21)15-6-5-13(20)10-17(15)23-16/h5-10,20H,4H2,1-3H3
InChIKeyWFOZHXIZZMCPFM-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.47
Rot. Bonds3

About 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one

3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one (PubChem CID 5398995) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
PubChem CID5398995
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
SMILESCCc1oc2cc(O)ccc2c(=O)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C19H18O4/c1-4-16-19(22-14-8-11(2)7-12(3)9-14)18(21)15-6-5-13(20)10-17(15)23-16/h5-10,20H,4H2,1-3H3
InChIKeyWFOZHXIZZMCPFM-UHFFFAOYSA-N
XLogP4.47
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127
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
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
CID 86168453

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one?
The IUPAC name of 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one (CID 5398995) is 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one is CCc1oc2cc(O)ccc2c(=O)c1Oc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one?
The InChIKey is WFOZHXIZZMCPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-16-19(22-14-8-11(2)7-12(3)9-14)18(21)15-6-5-13(20)10-17(15)23-16/h5-10,20H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one?
3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one is sourced from PubChem (CID 5398995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).