(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C15H12O4 — CID 77105169

IUPAC(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15-17H,8H2/t15-/m0/s1
InChIKeyMDGCNPDCAJHUOC-HNNXBMFYSA-N
MW256.26 g/mol
LogP2.80
Rot. Bonds1

About (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 77105169) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID77105169
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccc(O)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15-17H,8H2/t15-/m0/s1
InChIKeyMDGCNPDCAJHUOC-HNNXBMFYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 158863463
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
CID 66777697
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
2-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 171665791
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
7-hydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 620596
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 123383733

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (CID 77105169) is (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is O=C1C[C@@H](c2ccc(O)cc2)Oc2ccc(O)cc21.
What is the InChIKey of (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MDGCNPDCAJHUOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15-17H,8H2/t15-/m0/s1.
What are the key properties of (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one?
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 256.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 77105169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).