propan-2-yl 2-bromobenzoate

C10H11BrO2 — CID 603261

IUPACpropan-2-yl 2-bromobenzoate
SMILESCC(C)OC(=O)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyQTCRCHHNKWSPHB-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.01
Rot. Bonds2

About propan-2-yl 2-bromobenzoate

propan-2-yl 2-bromobenzoate (PubChem CID 603261) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is propan-2-yl 2-bromobenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-bromobenzoate
PubChem CID603261
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Namepropan-2-yl 2-bromobenzoate
SMILESCC(C)OC(=O)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyQTCRCHHNKWSPHB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromobenzoate?
The IUPAC name of propan-2-yl 2-bromobenzoate (CID 603261) is propan-2-yl 2-bromobenzoate.
What is the SMILES notation for propan-2-yl 2-bromobenzoate?
The canonical SMILES for propan-2-yl 2-bromobenzoate is CC(C)OC(=O)c1ccccc1Br.
What is the InChIKey of propan-2-yl 2-bromobenzoate?
The InChIKey is QTCRCHHNKWSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3.
What are the key properties of propan-2-yl 2-bromobenzoate?
propan-2-yl 2-bromobenzoate has a molecular weight of 243.10 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromobenzoate is sourced from PubChem (CID 603261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).