6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one

C15H12O3 — CID 3871907

IUPAC6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccccc2)c2cc(O)ccc2O1
InChIInChI=1S/C15H12O3/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12,16H,9H2
InChIKeyCTYPLGFAIKYKIV-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.83
Rot. Bonds1

About 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one

6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 3871907) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID3871907
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccccc2)c2cc(O)ccc2O1
InChIInChI=1S/C15H12O3/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12,16H,9H2
InChIKeyCTYPLGFAIKYKIV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one (CID 3871907) is 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one is O=C1CC(c2ccccc2)c2cc(O)ccc2O1.
What is the InChIKey of 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is CTYPLGFAIKYKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12,16H,9H2.
What are the key properties of 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 3871907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).