phenyl 2-phenylacetate;zinc

C14H12O2Zn — CID 70522084

IUPACphenyl 2-phenylacetate;zinc
SMILESO=C(Cc1ccccc1)Oc1ccccc1.[Zn]
InChIInChI=1S/C14H12O2.Zn/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10H,11H2;
InChIKeyCFVSQGGYZFUTQU-UHFFFAOYSA-N
MW277.64 g/mol
LogP2.83
Rot. Bonds3

About phenyl 2-phenylacetate;zinc

phenyl 2-phenylacetate;zinc (PubChem CID 70522084) has the molecular formula C14H12O2Zn and a molecular weight of 277.64 g/mol. Its IUPAC name is phenyl 2-phenylacetate;zinc.

Molecular Properties

Compound Namephenyl 2-phenylacetate;zinc
PubChem CID70522084
Molecular FormulaC14H12O2Zn
Molecular Weight277.64 g/mol
Exact Mass276.01
IUPAC Namephenyl 2-phenylacetate;zinc
SMILESO=C(Cc1ccccc1)Oc1ccccc1.[Zn]
InChIInChI=1S/C14H12O2.Zn/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10H,11H2;
InChIKeyCFVSQGGYZFUTQU-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);hydride;phenyl 2-phenylacetate
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(4-propan-2-ylphenyl) 2-phenylacetate
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phenyl 2-(3-fluorophenyl)acetate
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phenyl 2-oxo-3-phenylpropanoate
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CID 70464798
CID 70464798
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
phenyl 2-(3-nitrophenyl)acetate
CID 86103388
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-phenylacetate
CID 4080107
oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid
CID 143975054

Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenylacetate;zinc?
The IUPAC name of phenyl 2-phenylacetate;zinc (CID 70522084) is phenyl 2-phenylacetate;zinc.
What is the SMILES notation for phenyl 2-phenylacetate;zinc?
The canonical SMILES for phenyl 2-phenylacetate;zinc is O=C(Cc1ccccc1)Oc1ccccc1.[Zn].
What is the InChIKey of phenyl 2-phenylacetate;zinc?
The InChIKey is CFVSQGGYZFUTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.Zn/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;/h1-10H,11H2;.
What are the key properties of phenyl 2-phenylacetate;zinc?
phenyl 2-phenylacetate;zinc has a molecular weight of 277.64 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenylacetate;zinc is sourced from PubChem (CID 70522084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).