p-CRESYL PHENYLACETATE

C15H14O2 — CID 60997

IUPAC(4-methylphenyl) 2-phenylacetate
SMILESCC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2
InChIInChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOJEQSSJFSNLMLB-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.60
Rot. Bonds4

About p-CRESYL PHENYLACETATE

p-CRESYL PHENYLACETATE (PubChem CID 60997) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (4-methylphenyl) 2-phenylacetate.

Molecular Properties

Compound Namep-CRESYL PHENYLACETATE
PubChem CID60997
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(4-methylphenyl) 2-phenylacetate
SMILESCC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2
InChIInChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyOJEQSSJFSNLMLB-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tiratricol
CID 5803
Dihydrocoumarin
CID 660
Cyclofenil
CID 2898
Eugenyl benzoate
CID 62362
4-Methylphenyl acetate
CID 8797
Fenoprofen
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1'-Acetoxychavicol Acetate
CID 119104
Anisylacetone
CID 61007
Phenyl benzoate
CID 7169
4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
Tetraiodothyroacetic acid
CID 65552
Diethylstilbestrol Dipropionate
CID 657220

Frequently Asked Questions

What is the IUPAC name of p-CRESYL PHENYLACETATE?
The IUPAC name of p-CRESYL PHENYLACETATE (CID 60997) is (4-methylphenyl) 2-phenylacetate.
What is the SMILES notation for p-CRESYL PHENYLACETATE?
The canonical SMILES for p-CRESYL PHENYLACETATE is CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2.
What is the InChIKey of p-CRESYL PHENYLACETATE?
The InChIKey is OJEQSSJFSNLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of p-CRESYL PHENYLACETATE?
p-CRESYL PHENYLACETATE has a molecular weight of 226.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for p-CRESYL PHENYLACETATE is sourced from PubChem (CID 60997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).