(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one

C30H24O4 — CID 71469557

IUPAC(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C(C[C@@H](c1ccccc1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1)c1ccccc1O
InChIInChI=1S/C30H24O4/c31-25-17-9-7-15-22(25)26(32)19-24(20-11-3-1-4-12-20)28-29(33)23-16-8-10-18-27(23)34-30(28)21-13-5-2-6-14-21/h1-18,24,28,30-31H,19H2/t24-,28-,30+/m0/s1
InChIKeySHWVWJIWABRTPQ-QGUTYXHZSA-N
MW448.52 g/mol
LogP6.38
Rot. Bonds6

About (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one

(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 71469557) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID71469557
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C(C[C@@H](c1ccccc1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1)c1ccccc1O
InChIInChI=1S/C30H24O4/c31-25-17-9-7-15-22(25)26(32)19-24(20-11-3-1-4-12-20)28-29(33)23-16-8-10-18-27(23)34-30(28)21-13-5-2-6-14-21/h1-18,24,28,30-31H,19H2/t24-,28-,30+/m0/s1
InChIKeySHWVWJIWABRTPQ-QGUTYXHZSA-N
XLogP6.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one (CID 71469557) is (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one is O=C(C[C@@H](c1ccccc1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1)c1ccccc1O.
What is the InChIKey of (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is SHWVWJIWABRTPQ-QGUTYXHZSA-N. The full InChI is InChI=1S/C30H24O4/c31-25-17-9-7-15-22(25)26(32)19-24(20-11-3-1-4-12-20)28-29(33)23-16-8-10-18-27(23)34-30(28)21-13-5-2-6-14-21/h1-18,24,28,30-31H,19H2/t24-,28-,30+/m0/s1.
What are the key properties of (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one?
(2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 448.52 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(1R)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropyl]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).