(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone

C12H13BrO2 — CID 43311304

IUPAC(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CC1
InChIInChI=1S/C12H13BrO2/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyPIMIYYKNSOOESE-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.44
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone

(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone (PubChem CID 43311304) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
PubChem CID43311304
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(Br)cc1C(=O)C1CC1
InChIInChI=1S/C12H13BrO2/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyPIMIYYKNSOOESE-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64911303
(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
CID 62213865
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
CID 114105395
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
1-(5-bromo-2-ethoxyphenyl)-4-chlorobutan-1-one
CID 82051152
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone (CID 43311304) is (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone is CCOc1ccc(Br)cc1C(=O)C1CC1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone?
The InChIKey is PIMIYYKNSOOESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-2-15-11-6-5-9(13)7-10(11)12(14)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone?
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone has a molecular weight of 269.14 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 43311304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).