3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol

C13H17BrO3 — CID 114018846

IUPAC3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C13H17BrO3/c1-2-7-16-13-11(15)8-12(13)17-10-5-3-9(14)4-6-10/h3-6,11-13,15H,2,7-8H2,1H3
InChIKeyIRHZVVZMFDNPAB-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.76
Rot. Bonds5

About 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol

3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 114018846) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
PubChem CID114018846
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Br)cc1
InChIInChI=1S/C13H17BrO3/c1-2-7-16-13-11(15)8-12(13)17-10-5-3-9(14)4-6-10/h3-6,11-13,15H,2,7-8H2,1H3
InChIKeyIRHZVVZMFDNPAB-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 107942604
3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018850
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942506
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942554
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
CID 107942647
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol (CID 114018846) is 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is IRHZVVZMFDNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-2-7-16-13-11(15)8-12(13)17-10-5-3-9(14)4-6-10/h3-6,11-13,15H,2,7-8H2,1H3.
What are the key properties of 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol?
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 301.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 114018846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).