2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone

C12H13BrO2 — CID 82826992

IUPAC2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
SMILESO=C(COCc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-2-9(6-11)7-15-8-12(14)10-4-5-10/h1-3,6,10H,4-5,7-8H2
InChIKeyLWZCUIZJJVRTLM-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.94
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone

2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone (PubChem CID 82826992) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
PubChem CID82826992
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
SMILESO=C(COCc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-2-9(6-11)7-15-8-12(14)10-4-5-10/h1-3,6,10H,4-5,7-8H2
InChIKeyLWZCUIZJJVRTLM-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
CID 104752197
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
6-[(3-bromophenyl)methoxy]hexan-3-one
CID 106802152
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 82826756
(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
CID 70435197
(3-bromophenyl)methyl prop-2-ynoate
CID 175311975

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone (CID 82826992) is 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone is O=C(COCc1cccc(Br)c1)C1CC1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone?
The InChIKey is LWZCUIZJJVRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-3-1-2-9(6-11)7-15-8-12(14)10-4-5-10/h1-3,6,10H,4-5,7-8H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone?
2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone has a molecular weight of 269.14 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone is sourced from PubChem (CID 82826992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).