3-(3-bromophenoxy)-2-propoxycyclobutan-1-one

C13H15BrO3 — CID 107942210

IUPAC3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1cccc(Br)c1
InChIInChI=1S/C13H15BrO3/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,12-13H,2,6,8H2,1H3
InChIKeyPIXGIKYSMMDXSK-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one

3-(3-bromophenoxy)-2-propoxycyclobutan-1-one (PubChem CID 107942210) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
PubChem CID107942210
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1cccc(Br)c1
InChIInChI=1S/C13H15BrO3/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,12-13H,2,6,8H2,1H3
InChIKeyPIXGIKYSMMDXSK-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942231
3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
CID 114018819
3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one
CID 114018813
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
3-(2-fluoro-3-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942425
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
3-(3-bromophenoxy)-2-(2-methoxyethoxy)cyclobutan-1-amine
CID 114032265
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
CID 104673525
3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one
CID 107942290
3-(5-bromo-2-fluorophenoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032139
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one (CID 107942210) is 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1Oc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one?
The InChIKey is PIXGIKYSMMDXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-2-6-16-13-11(15)8-12(13)17-10-5-3-4-9(14)7-10/h3-5,7,12-13H,2,6,8H2,1H3.
What are the key properties of 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one?
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one has a molecular weight of 299.16 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2-propoxycyclobutan-1-one is sourced from PubChem (CID 107942210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).