3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol

C13H16Br2O3 — CID 107942604

IUPAC3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2O3/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13,16H,2,5,7H2,1H3
InChIKeySNESXLCEAZPKET-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.52
Rot. Bonds5

About 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol

3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942604) has the molecular formula C13H16Br2O3 and a molecular weight of 380.08 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942604
Molecular FormulaC13H16Br2O3
Molecular Weight380.08 g/mol
Exact Mass377.95
IUPAC Name3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2O3/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13,16H,2,5,7H2,1H3
InChIKeySNESXLCEAZPKET-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018850
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
2-bromo-1-(3-bromo-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 107943085
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
4-bromo-1-(3-chloro-2-propoxycyclobutyl)oxy-2-propan-2-ylbenzene
CID 107943053
3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
3-(2-methyl-5-propan-2-ylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942562
3-(2,4-dibromophenoxy)cyclobutan-1-ol
CID 66346486
3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
CID 104673626
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol (CID 107942604) is 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1ccc(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is SNESXLCEAZPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O3/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13,16H,2,5,7H2,1H3.
What are the key properties of 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol?
3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 380.08 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).