1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one

C14H17BrO2 — CID 83154667

IUPAC1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)C2CC2)c(Br)c1
InChIInChI=1S/C14H17BrO2/c1-3-17-11-6-7-12(13(15)8-11)14(16)9(2)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyHHMCUTCXORMKMO-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one

1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one (PubChem CID 83154667) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
PubChem CID83154667
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)C2CC2)c(Br)c1
InChIInChI=1S/C14H17BrO2/c1-3-17-11-6-7-12(13(15)8-11)14(16)9(2)10-4-5-10/h6-10H,3-5H2,1-2H3
InChIKeyHHMCUTCXORMKMO-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
1-(2-bromo-4-ethoxyphenyl)-2-cycloheptylethanone
CID 114457392
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
CID 83154555
2-bromo-N,4-diethoxybenzamide
CID 90850179
1-(4-bromonaphthalen-1-yl)-2-cyclopropylpropan-1-one
CID 83154272
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one (CID 83154667) is 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one is CCOc1ccc(C(=O)C(C)C2CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one?
The InChIKey is HHMCUTCXORMKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-3-17-11-6-7-12(13(15)8-11)14(16)9(2)10-4-5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one?
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one has a molecular weight of 297.19 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 83154667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).