[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate

C16H14O5 — CID 69348261

IUPAC[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](O)O2
InChIInChI=1S/C16H14O5/c17-15-9-12(10-4-2-1-3-5-10)13-8-11(20-16(18)19)6-7-14(13)21-15/h1-8,12,15,17H,9H2,(H,18,19)/t12-,15-/m1/s1
InChIKeyGUUJQEICROURBT-IUODEOHRSA-N
MW286.28 g/mol
LogP2.98
Rot. Bonds2

About [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate

[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate (PubChem CID 69348261) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate
PubChem CID69348261
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](O)O2
InChIInChI=1S/C16H14O5/c17-15-9-12(10-4-2-1-3-5-10)13-8-11(20-16(18)19)6-7-14(13)21-15/h1-8,12,15,17H,9H2,(H,18,19)/t12-,15-/m1/s1
InChIKeyGUUJQEICROURBT-IUODEOHRSA-N
XLogP2.98
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate?
The IUPAC name of [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate (CID 69348261) is [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate.
What is the SMILES notation for [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate?
The canonical SMILES for [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate is O=C(O)Oc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](O)O2.
What is the InChIKey of [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate?
The InChIKey is GUUJQEICROURBT-IUODEOHRSA-N. The full InChI is InChI=1S/C16H14O5/c17-15-9-12(10-4-2-1-3-5-10)13-8-11(20-16(18)19)6-7-14(13)21-15/h1-8,12,15,17H,9H2,(H,18,19)/t12-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate?
[(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate has a molecular weight of 286.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-hydroxy-4-phenyl-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate is sourced from PubChem (CID 69348261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).