(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one

C30H24O6 — CID 68519073

IUPAC(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2ccccc21.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4.C15H12O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-7,14,16-17H,8H2;1-9,15H,10H2/t14-;/m0./s1
InChIKeyYIHZYFBKLWUGSF-UQKRIMTDSA-N
MW480.52 g/mol
LogP6.20
Rot. Bonds2

About (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one

(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 68519073) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
PubChem CID68519073
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2ccccc21.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4.C15H12O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-7,14,16-17H,8H2;1-9,15H,10H2/t14-;/m0./s1
InChIKeyYIHZYFBKLWUGSF-UQKRIMTDSA-N
XLogP6.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one (CID 68519073) is (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2ccccc21.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21.
What is the InChIKey of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is YIHZYFBKLWUGSF-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H12O4.C15H12O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-7,14,16-17H,8H2;1-9,15H,10H2/t14-;/m0./s1.
What are the key properties of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one?
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 480.52 g/mol, XLogP of 6.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 68519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).