5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane

C20H24O4 — CID 90949026

IUPAC5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
SMILESCC.CC.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C16H12O4.2C2H6/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;2*1-2/h2-8,17-18H,1H3;2*1-2H3
InChIKeyBITWZUWPMMNXOK-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.23
Rot. Bonds1

About 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane

5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane (PubChem CID 90949026) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
PubChem CID90949026
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
SMILESCC.CC.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
InChIInChI=1S/C16H12O4.2C2H6/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;2*1-2/h2-8,17-18H,1H3;2*1-2H3
InChIKeyBITWZUWPMMNXOK-UHFFFAOYSA-N
XLogP5.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 169245769
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]chromen-4-one
CID 25170320
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane?
The IUPAC name of 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane (CID 90949026) is 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane.
What is the SMILES notation for 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane?
The canonical SMILES for 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane is CC.CC.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.
What is the InChIKey of 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane?
The InChIKey is BITWZUWPMMNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4.2C2H6/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;2*1-2/h2-8,17-18H,1H3;2*1-2H3.
What are the key properties of 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane?
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane has a molecular weight of 328.41 g/mol, XLogP of 5.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane is sourced from PubChem (CID 90949026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).