(2-hydroxyphenyl) 2-phenylacetate

C14H12O3 — CID 91699546

IUPAC(2-hydroxyphenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1O
InChIInChI=1S/C14H12O3/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyTURYSIQNYCHIRJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.54
Rot. Bonds3

About (2-hydroxyphenyl) 2-phenylacetate

(2-hydroxyphenyl) 2-phenylacetate (PubChem CID 91699546) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-phenylacetate
PubChem CID91699546
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name(2-hydroxyphenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1O
InChIInChI=1S/C14H12O3/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyTURYSIQNYCHIRJ-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.54
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

(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
phenyl 2-phenylacetate;zinc
CID 70522084
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
CID 141214958
(2-hydroxyphenyl) 2-thiophen-2-ylacetate
CID 91700994
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
CID 173408230
CID 173408230
[2-(2-iminoacetyl)phenyl] 2-phenylacetate
CID 91290911
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
CID 174393592
CID 174393592
(2-quinolin-2-ylphenyl) 2-phenylacetate
CID 174629476
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-phenylacetate?
The IUPAC name of (2-hydroxyphenyl) 2-phenylacetate (CID 91699546) is (2-hydroxyphenyl) 2-phenylacetate.
What is the SMILES notation for (2-hydroxyphenyl) 2-phenylacetate?
The canonical SMILES for (2-hydroxyphenyl) 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 2-phenylacetate?
The InChIKey is TURYSIQNYCHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-8-4-5-9-13(12)17-14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of (2-hydroxyphenyl) 2-phenylacetate?
(2-hydroxyphenyl) 2-phenylacetate has a molecular weight of 228.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-phenylacetate is sourced from PubChem (CID 91699546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).