3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one

C12H13BrO3 — CID 104673525

IUPAC3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
SMILESCOC1C(=O)CC1OCc1cccc(Br)c1
InChIInChI=1S/C12H13BrO3/c1-15-12-10(14)6-11(12)16-7-8-3-2-4-9(13)5-8/h2-5,11-12H,6-7H2,1H3
InChIKeyHLEKXSWTDMGELZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.32
Rot. Bonds4

About 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one

3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one (PubChem CID 104673525) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
PubChem CID104673525
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
SMILESCOC1C(=O)CC1OCc1cccc(Br)c1
InChIInChI=1S/C12H13BrO3/c1-15-12-10(14)6-11(12)16-7-8-3-2-4-9(13)5-8/h2-5,11-12H,6-7H2,1H3
InChIKeyHLEKXSWTDMGELZ-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673746
3-[(3-bromophenyl)methoxy]cyclobutan-1-one
CID 82826300
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
CID 104675230
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
CID 107942210
3-[(3-bromophenyl)methoxy]cyclohexan-1-one
CID 82826289
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
1-bromo-3-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]benzene
CID 82825989
1-bromo-3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]benzene
CID 114774884
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
3-bromo-4-[(3-methoxyphenyl)methoxy]thiolane 1,1-dioxide
CID 114772397

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one (CID 104673525) is 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one is COC1C(=O)CC1OCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one?
The InChIKey is HLEKXSWTDMGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-15-12-10(14)6-11(12)16-7-8-3-2-4-9(13)5-8/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one?
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one has a molecular weight of 285.14 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one is sourced from PubChem (CID 104673525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).