(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane

C17H18O4 — CID 143810700

IUPAC(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
SMILESCC.O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O4.C2H6/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2/h1-7,13,16-17H,8H2;1-2H3/t13-;/m1./s1
InChIKeyZZZOAFIULQJVLJ-BTQNPOSSSA-N
MW286.33 g/mol
LogP3.83
Rot. Bonds1

About (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane

(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane (PubChem CID 143810700) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
PubChem CID143810700
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
SMILESCC.O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O4.C2H6/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2/h1-7,13,16-17H,8H2;1-2H3/t13-;/m1./s1
InChIKeyZZZOAFIULQJVLJ-BTQNPOSSSA-N
XLogP3.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one
CID 66687732
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane?
The IUPAC name of (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane (CID 143810700) is (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane?
The canonical SMILES for (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane is CC.O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane?
The InChIKey is ZZZOAFIULQJVLJ-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H12O4.C2H6/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2/h1-7,13,16-17H,8H2;1-2H3/t13-;/m1./s1.
What are the key properties of (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane?
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane has a molecular weight of 286.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane is sourced from PubChem (CID 143810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).