2-(3-ethylphenoxy)benzoyl bromide

C15H13BrO2 — CID 139662785

IUPAC2-(3-ethylphenoxy)benzoyl bromide
SMILESCCc1cccc(Oc2ccccc2C(=O)Br)c1
InChIInChI=1S/C15H13BrO2/c1-2-11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)15(16)17/h3-10H,2H2,1H3
InChIKeyBKSBSARRPARYQJ-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.58
Rot. Bonds4

About 2-(3-ethylphenoxy)benzoyl bromide

2-(3-ethylphenoxy)benzoyl bromide (PubChem CID 139662785) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)benzoyl bromide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)benzoyl bromide
PubChem CID139662785
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-(3-ethylphenoxy)benzoyl bromide
SMILESCCc1cccc(Oc2ccccc2C(=O)Br)c1
InChIInChI=1S/C15H13BrO2/c1-2-11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)15(16)17/h3-10H,2H2,1H3
InChIKeyBKSBSARRPARYQJ-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
3-(3-ethylphenoxy)-2-nitrobenzoic acid
CID 115540994
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 114203037
N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282324
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
methyl 2-[2-[3-(bromomethyl)phenoxy]phenyl]-2-methoxyiminoacetate
CID 54084630
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)benzoyl bromide?
The IUPAC name of 2-(3-ethylphenoxy)benzoyl bromide (CID 139662785) is 2-(3-ethylphenoxy)benzoyl bromide.
What is the SMILES notation for 2-(3-ethylphenoxy)benzoyl bromide?
The canonical SMILES for 2-(3-ethylphenoxy)benzoyl bromide is CCc1cccc(Oc2ccccc2C(=O)Br)c1.
What is the InChIKey of 2-(3-ethylphenoxy)benzoyl bromide?
The InChIKey is BKSBSARRPARYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-2-11-6-5-7-12(10-11)18-14-9-4-3-8-13(14)15(16)17/h3-10H,2H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)benzoyl bromide?
2-(3-ethylphenoxy)benzoyl bromide has a molecular weight of 305.17 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)benzoyl bromide is sourced from PubChem (CID 139662785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).