2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc

C15H14O2Zn — CID 160688399

IUPAC2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
SMILESOc1ccc2c(c1)CCC(c1ccccc1)O2.[Zn]
InChIInChI=1S/C15H14O2.Zn/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;/h1-5,7,9-10,14,16H,6,8H2;
InChIKeyRPBSHELJZQXFND-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.46
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc

2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc (PubChem CID 160688399) has the molecular formula C15H14O2Zn and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
PubChem CID160688399
Molecular FormulaC15H14O2Zn
Molecular Weight291.66 g/mol
Exact Mass290.03
IUPAC Name2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
SMILESOc1ccc2c(c1)CCC(c1ccccc1)O2.[Zn]
InChIInChI=1S/C15H14O2.Zn/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;/h1-5,7,9-10,14,16H,6,8H2;
InChIKeyRPBSHELJZQXFND-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc (CID 160688399) is 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc is Oc1ccc2c(c1)CCC(c1ccccc1)O2.[Zn].
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc?
The InChIKey is RPBSHELJZQXFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.Zn/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;/h1-5,7,9-10,14,16H,6,8H2;.
What are the key properties of 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc?
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc has a molecular weight of 291.66 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc is sourced from PubChem (CID 160688399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).