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

C14H17BrO3 — CID 107942380

IUPAC3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1OCc1cccc(Br)c1
InChIInChI=1S/C14H17BrO3/c1-2-6-17-14-12(16)8-13(14)18-9-10-4-3-5-11(15)7-10/h3-5,7,13-14H,2,6,8-9H2,1H3
InChIKeyCUKPNQANWIFYRH-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.10
Rot. Bonds6

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

3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one (PubChem CID 107942380) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
PubChem CID107942380
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1OCc1cccc(Br)c1
InChIInChI=1S/C14H17BrO3/c1-2-6-17-14-12(16)8-13(14)18-9-10-4-3-5-11(15)7-10/h3-5,7,13-14H,2,6,8-9H2,1H3
InChIKeyCUKPNQANWIFYRH-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
CID 104673525
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
CID 107942210
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
CID 104675230
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
3-[(3-bromophenyl)methoxy]cyclobutan-1-one
CID 82826300
1-bromo-3-(propoxymethyl)benzene
CID 57057286
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673746
3-heptoxy-2-propoxycyclobutan-1-one
CID 107942270
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942231
3-[(3-bromophenyl)methoxy]cyclohexan-1-one
CID 82826289
2-O-[(3-bromophenyl)methyl] 1-O-butyl benzene-1,2-dicarboxylate
CID 91720489

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one (CID 107942380) is 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1OCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one?
The InChIKey is CUKPNQANWIFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-2-6-17-14-12(16)8-13(14)18-9-10-4-3-5-11(15)7-10/h3-5,7,13-14H,2,6,8-9H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one?
3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one has a molecular weight of 313.19 g/mol, XLogP of 3.10, 6 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-propoxycyclobutan-1-one is sourced from PubChem (CID 107942380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).