[2-(4-tert-butylphenyl)cyclopropyl] acetate

C15H20O2 — CID 175297807

IUPAC[2-(4-tert-butylphenyl)cyclopropyl] acetate
SMILESCC(=O)OC1CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20O2/c1-10(16)17-14-9-13(14)11-5-7-12(8-6-11)15(2,3)4/h5-8,13-14H,9H2,1-4H3
InChIKeyUMCQYDMVQOLDLN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.40
Rot. Bonds2

About [2-(4-tert-butylphenyl)cyclopropyl] acetate

[2-(4-tert-butylphenyl)cyclopropyl] acetate (PubChem CID 175297807) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)cyclopropyl] acetate.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)cyclopropyl] acetate
PubChem CID175297807
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[2-(4-tert-butylphenyl)cyclopropyl] acetate
SMILESCC(=O)OC1CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20O2/c1-10(16)17-14-9-13(14)11-5-7-12(8-6-11)15(2,3)4/h5-8,13-14H,9H2,1-4H3
InChIKeyUMCQYDMVQOLDLN-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)cyclopropan-1-ol
CID 142590960
[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate
CID 71245294
1-tert-butyl-4-(2-fluorocyclopropyl)benzene
CID 134860876
2-(4-tert-butylphenyl)cyclopropan-1-amine
CID 43810325
1-[(1S,4S,5S)-5-(4-tert-butylphenyl)-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 171466208
(2,5-dihydroxypyrrol-1-yl) 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
CID 123563316
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
1-tert-butyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 67951112
1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
CID 67776684
2-(4-tert-butylphenyl)adamantane
CID 13047727
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
2-(4-tert-butylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013243

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)cyclopropyl] acetate?
The IUPAC name of [2-(4-tert-butylphenyl)cyclopropyl] acetate (CID 175297807) is [2-(4-tert-butylphenyl)cyclopropyl] acetate.
What is the SMILES notation for [2-(4-tert-butylphenyl)cyclopropyl] acetate?
The canonical SMILES for [2-(4-tert-butylphenyl)cyclopropyl] acetate is CC(=O)OC1CC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)cyclopropyl] acetate?
The InChIKey is UMCQYDMVQOLDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(16)17-14-9-13(14)11-5-7-12(8-6-11)15(2,3)4/h5-8,13-14H,9H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenyl)cyclopropyl] acetate?
[2-(4-tert-butylphenyl)cyclopropyl] acetate has a molecular weight of 232.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)cyclopropyl] acetate is sourced from PubChem (CID 175297807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).