[3-(cyclohexanecarbonyl)phenyl] acetate

C15H18O3 — CID 146010619

IUPAC[3-(cyclohexanecarbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C15H18O3/c1-11(16)18-14-9-5-8-13(10-14)15(17)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyMNAAYGDQAYXMLI-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.37
Rot. Bonds3

About [3-(cyclohexanecarbonyl)phenyl] acetate

[3-(cyclohexanecarbonyl)phenyl] acetate (PubChem CID 146010619) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-(cyclohexanecarbonyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(cyclohexanecarbonyl)phenyl] acetate
PubChem CID146010619
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[3-(cyclohexanecarbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C15H18O3/c1-11(16)18-14-9-5-8-13(10-14)15(17)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyMNAAYGDQAYXMLI-UHFFFAOYSA-N
XLogP3.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
[3-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543486
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
(3-carbamothioylphenyl) acetate
CID 97046721
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
cyclohexyl-(3-methylsulfanylphenyl)methanone
CID 146007628
(3-tert-butylphenyl)-cyclopentylmethanone
CID 146005494
methyl 3-acetyloxybenzoate
CID 577969
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexanecarbonyl)phenyl] acetate?
The IUPAC name of [3-(cyclohexanecarbonyl)phenyl] acetate (CID 146010619) is [3-(cyclohexanecarbonyl)phenyl] acetate.
What is the SMILES notation for [3-(cyclohexanecarbonyl)phenyl] acetate?
The canonical SMILES for [3-(cyclohexanecarbonyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)C2CCCCC2)c1.
What is the InChIKey of [3-(cyclohexanecarbonyl)phenyl] acetate?
The InChIKey is MNAAYGDQAYXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(16)18-14-9-5-8-13(10-14)15(17)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of [3-(cyclohexanecarbonyl)phenyl] acetate?
[3-(cyclohexanecarbonyl)phenyl] acetate has a molecular weight of 246.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexanecarbonyl)phenyl] acetate is sourced from PubChem (CID 146010619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).