3-[(3-bromophenyl)methoxy]cyclobutan-1-one

C11H11BrO2 — CID 82826300

IUPAC3-[(3-bromophenyl)methoxy]cyclobutan-1-one
SMILESO=C1CC(OCc2cccc(Br)c2)C1
InChIInChI=1S/C11H11BrO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2
InChIKeyPHDZAPIJXCKMGG-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.70
Rot. Bonds3

About 3-[(3-bromophenyl)methoxy]cyclobutan-1-one

3-[(3-bromophenyl)methoxy]cyclobutan-1-one (PubChem CID 82826300) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]cyclobutan-1-one
PubChem CID82826300
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name3-[(3-bromophenyl)methoxy]cyclobutan-1-one
SMILESO=C1CC(OCc2cccc(Br)c2)C1
InChIInChI=1S/C11H11BrO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2
InChIKeyPHDZAPIJXCKMGG-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82826289
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CID 104673525
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3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380
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CID 129278102
4-[(3-bromophenyl)methoxy]pyrrolidine-1,2-dicarboxylic acid
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(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
CID 91266579
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
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CID 58710606
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]cyclobutan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methoxy]cyclobutan-1-one (CID 82826300) is 3-[(3-bromophenyl)methoxy]cyclobutan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]cyclobutan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]cyclobutan-1-one is O=C1CC(OCc2cccc(Br)c2)C1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]cyclobutan-1-one?
The InChIKey is PHDZAPIJXCKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2.
What are the key properties of 3-[(3-bromophenyl)methoxy]cyclobutan-1-one?
3-[(3-bromophenyl)methoxy]cyclobutan-1-one has a molecular weight of 255.11 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]cyclobutan-1-one is sourced from PubChem (CID 82826300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).