3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol

C13H16Br2O3 — CID 114018850

IUPAC3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1c(Br)cccc1Br
InChIInChI=1S/C13H16Br2O3/c1-2-6-17-13-10(16)7-11(13)18-12-8(14)4-3-5-9(12)15/h3-5,10-11,13,16H,2,6-7H2,1H3
InChIKeyOKMSMYLSVWJHCH-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.52
Rot. Bonds5

About 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol

3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 114018850) has the molecular formula C13H16Br2O3 and a molecular weight of 380.08 g/mol. Its IUPAC name is 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
PubChem CID114018850
Molecular FormulaC13H16Br2O3
Molecular Weight380.08 g/mol
Exact Mass377.95
IUPAC Name3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1c(Br)cccc1Br
InChIInChI=1S/C13H16Br2O3/c1-2-6-17-13-10(16)7-11(13)18-12-8(14)4-3-5-9(12)15/h3-5,10-11,13,16H,2,6-7H2,1H3
InChIKeyOKMSMYLSVWJHCH-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol (CID 114018850) is 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is OKMSMYLSVWJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O3/c1-2-6-17-13-10(16)7-11(13)18-12-8(14)4-3-5-9(12)15/h3-5,10-11,13,16H,2,6-7H2,1H3.
What are the key properties of 3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol?
3-(2,6-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-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 114018850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).