1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone

C13H15BrO2 — CID 106202171

IUPAC1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C13H15BrO2/c1-9(15)11-4-5-13(12(14)8-11)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyNTEYSVNOGOGSSN-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone

1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone (PubChem CID 106202171) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
PubChem CID106202171
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C13H15BrO2/c1-9(15)11-4-5-13(12(14)8-11)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyNTEYSVNOGOGSSN-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(2-cyclobutylethoxy)benzoic acid
CID 106206434
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
1-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 84712348
methyl 2-(4-acetyl-2-bromophenoxy)acetate
CID 66868355
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778
4-(2-acetyloxyethoxy)-3-bromobenzoic acid
CID 123879601
[4-(4-pentylcyclohexyl)cyclohexyl] 3-bromo-4-nonoxybenzoate
CID 19847125
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone (CID 106202171) is 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone is CC(=O)c1ccc(OCCC2CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone?
The InChIKey is NTEYSVNOGOGSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9(15)11-4-5-13(12(14)8-11)16-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone?
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone is sourced from PubChem (CID 106202171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).