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

C14H17BrO2 — CID 104752197

IUPAC2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
SMILESO=C(COCc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C14H17BrO2/c15-13-7-3-4-11(8-13)9-17-10-14(16)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyAWKXOMABCOFZNU-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.72
Rot. Bonds5

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

2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone (PubChem CID 104752197) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
PubChem CID104752197
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
SMILESO=C(COCc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C14H17BrO2/c15-13-7-3-4-11(8-13)9-17-10-14(16)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyAWKXOMABCOFZNU-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82826992
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
1-(oxan-3-yl)-2-phenylmethoxyethanone
CID 131141063
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
(3-bromophenyl)methyl prop-2-ynoate
CID 175311975
(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
CID 70435197
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone (CID 104752197) is 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone is O=C(COCc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone?
The InChIKey is AWKXOMABCOFZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-13-7-3-4-11(8-13)9-17-10-14(16)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone?
2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone has a molecular weight of 297.19 g/mol, XLogP of 3.72, 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-cyclopentylethanone is sourced from PubChem (CID 104752197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).