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

C15H12O3 — CID 688857

IUPAC(2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccccc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1
InChIKeySWAJPHCXKPCPQZ-AWEZNQCLSA-N
MW240.26 g/mol
LogP3.10
Rot. Bonds1

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

(2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 688857) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID688857
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccccc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1
InChIKeySWAJPHCXKPCPQZ-AWEZNQCLSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 688857) is (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is O=C1C[C@@H](c2ccccc2)Oc2cc(O)ccc21.
What is the InChIKey of (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is SWAJPHCXKPCPQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1.
What are the key properties of (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?
(2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 240.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 688857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).