(2-cyclobutylphenyl) acetate

C12H14O2 — CID 176943294

IUPAC(2-cyclobutylphenyl) acetate
SMILESCC(=O)Oc1ccccc1C1CCC1
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-8,10H,4-6H2,1H3
InChIKeyKNBSXSFJDDPGAJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.88
Rot. Bonds2

About (2-cyclobutylphenyl) acetate

(2-cyclobutylphenyl) acetate (PubChem CID 176943294) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2-cyclobutylphenyl) acetate.

Molecular Properties

Compound Name(2-cyclobutylphenyl) acetate
PubChem CID176943294
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2-cyclobutylphenyl) acetate
SMILESCC(=O)Oc1ccccc1C1CCC1
InChIInChI=1S/C12H14O2/c1-9(13)14-12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-8,10H,4-6H2,1H3
InChIKeyKNBSXSFJDDPGAJ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.88
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

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CID 174539940
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(2-cyclohexylphenyl) pentyl carbonate
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CID 10514848
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CID 153354225
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CID 64516358
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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl) acetate?
The IUPAC name of (2-cyclobutylphenyl) acetate (CID 176943294) is (2-cyclobutylphenyl) acetate.
What is the SMILES notation for (2-cyclobutylphenyl) acetate?
The canonical SMILES for (2-cyclobutylphenyl) acetate is CC(=O)Oc1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl) acetate?
The InChIKey is KNBSXSFJDDPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)14-12-8-3-2-7-11(12)10-5-4-6-10/h2-3,7-8,10H,4-6H2,1H3.
What are the key properties of (2-cyclobutylphenyl) acetate?
(2-cyclobutylphenyl) acetate has a molecular weight of 190.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl) acetate is sourced from PubChem (CID 176943294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).