3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol

C13H18O5 — CID 104673541

IUPAC3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOc1cccc(OC)c1OC1CC(O)C1OC
InChIInChI=1S/C13H18O5/c1-15-9-5-4-6-10(16-2)13(9)18-11-7-8(14)12(11)17-3/h4-6,8,11-12,14H,7H2,1-3H3
InChIKeyHEQMDVIRKOIUQC-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.23
Rot. Bonds5

About 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol

3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol (PubChem CID 104673541) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
PubChem CID104673541
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOc1cccc(OC)c1OC1CC(O)C1OC
InChIInChI=1S/C13H18O5/c1-15-9-5-4-6-10(16-2)13(9)18-11-7-8(14)12(11)17-3/h4-6,8,11-12,14H,7H2,1-3H3
InChIKeyHEQMDVIRKOIUQC-UHFFFAOYSA-N
XLogP1.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethoxyphenoxy)-2-ethoxycyclobutan-1-ol
CID 104675270
3-(2-tert-butylphenoxy)-2-methoxycyclobutan-1-ol
CID 113439648
3-(2,5-dibromo-4-methoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 113439674
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
CID 104675482
3-(2,6-dimethoxyphenoxy)cyclobutan-1-amine
CID 66356674
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66368713
2-methoxy-3-pyridin-3-yloxycyclobutan-1-ol
CID 104673708
3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
CID 83134535
1-(3-chloro-2-methoxycyclobutyl)oxy-2-methoxybenzene
CID 104673828
3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
CID 104673626
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol
CID 60884886

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol (CID 104673541) is 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol is COc1cccc(OC)c1OC1CC(O)C1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol?
The InChIKey is HEQMDVIRKOIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-15-9-5-4-6-10(16-2)13(9)18-11-7-8(14)12(11)17-3/h4-6,8,11-12,14H,7H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol?
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol has a molecular weight of 254.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 104673541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).