cyclopropyl 3-bromo-2,2-diphenylpropanoate

C18H17BrO2 — CID 174568093

IUPACcyclopropyl 3-bromo-2,2-diphenylpropanoate
SMILESO=C(OC1CC1)C(CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17BrO2/c19-13-18(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17(20)21-16-11-12-16/h1-10,16H,11-13H2
InChIKeyUVRICZNLLOIXTF-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.07
Rot. Bonds5

About cyclopropyl 3-bromo-2,2-diphenylpropanoate

cyclopropyl 3-bromo-2,2-diphenylpropanoate (PubChem CID 174568093) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is cyclopropyl 3-bromo-2,2-diphenylpropanoate.

Molecular Properties

Compound Namecyclopropyl 3-bromo-2,2-diphenylpropanoate
PubChem CID174568093
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Namecyclopropyl 3-bromo-2,2-diphenylpropanoate
SMILESO=C(OC1CC1)C(CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17BrO2/c19-13-18(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17(20)21-16-11-12-16/h1-10,16H,11-13H2
InChIKeyUVRICZNLLOIXTF-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
CID 70907246
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
CID 517443
cyclopropyl 2-phenylacetate
CID 135066962
(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate
CID 15069076
(4-phenylcyclohexyl) 2,2-difluoropropanoate
CID 58372434
(1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
CID 10155959
(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
CID 72793860
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
piperidin-4-yl 2-(1,1-dideuteriopropoxy)-2,2-diphenylacetate
CID 71696269

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 3-bromo-2,2-diphenylpropanoate?
The IUPAC name of cyclopropyl 3-bromo-2,2-diphenylpropanoate (CID 174568093) is cyclopropyl 3-bromo-2,2-diphenylpropanoate.
What is the SMILES notation for cyclopropyl 3-bromo-2,2-diphenylpropanoate?
The canonical SMILES for cyclopropyl 3-bromo-2,2-diphenylpropanoate is O=C(OC1CC1)C(CBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclopropyl 3-bromo-2,2-diphenylpropanoate?
The InChIKey is UVRICZNLLOIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c19-13-18(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17(20)21-16-11-12-16/h1-10,16H,11-13H2.
What are the key properties of cyclopropyl 3-bromo-2,2-diphenylpropanoate?
cyclopropyl 3-bromo-2,2-diphenylpropanoate has a molecular weight of 345.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-bromo-2,2-diphenylpropanoate is sourced from PubChem (CID 174568093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).