(4-methylphenyl) acetate

C9H10O2 — CID 8797

IUPAC(4-methylphenyl) acetate
SMILESCC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKeyCDJJKTLOZJAGIZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.92
Rot. Bonds1

About (4-methylphenyl) acetate

(4-methylphenyl) acetate (PubChem CID 8797) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (4-methylphenyl) acetate.

Molecular Properties

Compound Name(4-methylphenyl) acetate
PubChem CID8797
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(4-methylphenyl) acetate
SMILESCC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKeyCDJJKTLOZJAGIZ-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) acetate?
The IUPAC name of (4-methylphenyl) acetate (CID 8797) is (4-methylphenyl) acetate.
What is the SMILES notation for (4-methylphenyl) acetate?
The canonical SMILES for (4-methylphenyl) acetate is CC(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) acetate?
The InChIKey is CDJJKTLOZJAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3.
What are the key properties of (4-methylphenyl) acetate?
(4-methylphenyl) acetate has a molecular weight of 150.18 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) acetate is sourced from PubChem (CID 8797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).