(2-bromo-5-cyclopropylphenyl) acetate

C11H11BrO2 — CID 150310157

IUPAC(2-bromo-5-cyclopropylphenyl) acetate
SMILESCC(=O)Oc1cc(C2CC2)ccc1Br
InChIInChI=1S/C11H11BrO2/c1-7(13)14-11-6-9(8-2-3-8)4-5-10(11)12/h4-6,8H,2-3H2,1H3
InChIKeyGLLCYKFCXAEYKU-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.25
Rot. Bonds2

About (2-bromo-5-cyclopropylphenyl) acetate

(2-bromo-5-cyclopropylphenyl) acetate (PubChem CID 150310157) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (2-bromo-5-cyclopropylphenyl) acetate.

Molecular Properties

Compound Name(2-bromo-5-cyclopropylphenyl) acetate
PubChem CID150310157
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(2-bromo-5-cyclopropylphenyl) acetate
SMILESCC(=O)Oc1cc(C2CC2)ccc1Br
InChIInChI=1S/C11H11BrO2/c1-7(13)14-11-6-9(8-2-3-8)4-5-10(11)12/h4-6,8H,2-3H2,1H3
InChIKeyGLLCYKFCXAEYKU-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.25
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 (2-bromo-5-cyclopropylphenyl) acetate?
The IUPAC name of (2-bromo-5-cyclopropylphenyl) acetate (CID 150310157) is (2-bromo-5-cyclopropylphenyl) acetate.
What is the SMILES notation for (2-bromo-5-cyclopropylphenyl) acetate?
The canonical SMILES for (2-bromo-5-cyclopropylphenyl) acetate is CC(=O)Oc1cc(C2CC2)ccc1Br.
What is the InChIKey of (2-bromo-5-cyclopropylphenyl) acetate?
The InChIKey is GLLCYKFCXAEYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7(13)14-11-6-9(8-2-3-8)4-5-10(11)12/h4-6,8H,2-3H2,1H3.
What are the key properties of (2-bromo-5-cyclopropylphenyl) acetate?
(2-bromo-5-cyclopropylphenyl) acetate has a molecular weight of 255.11 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-cyclopropylphenyl) acetate is sourced from PubChem (CID 150310157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).