3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol

C14H20O3 — CID 113439879

IUPAC3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1cccc(C)c1C
InChIInChI=1S/C14H20O3/c1-4-16-14-11(15)8-13(14)17-12-7-5-6-9(2)10(12)3/h5-7,11,13-15H,4,8H2,1-3H3
InChIKeyDWBIZWRRVRZHRP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.22
Rot. Bonds4

About 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol

3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol (PubChem CID 113439879) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol
PubChem CID113439879
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1cccc(C)c1C
InChIInChI=1S/C14H20O3/c1-4-16-14-11(15)8-13(14)17-12-7-5-6-9(2)10(12)3/h5-7,11,13-15H,4,8H2,1-3H3
InChIKeyDWBIZWRRVRZHRP-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(2-methylphenoxy)cyclobutan-1-ol
CID 104675291
3-(2,6-dimethoxyphenoxy)-2-ethoxycyclobutan-1-ol
CID 104675270
1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
CID 114032163
3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674259
(4S,5S)-5-(2,3-dimethylphenoxy)azepan-4-ol
CID 22808307
3-(4-chloro-3-methylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439889
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
5-(2,3-dimethylphenoxy)-1-methylazepan-4-ol
CID 20548921
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293889
2-(2,3-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292222

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol?
The IUPAC name of 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol (CID 113439879) is 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol is CCOC1C(O)CC1Oc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol?
The InChIKey is DWBIZWRRVRZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-16-14-11(15)8-13(14)17-12-7-5-6-9(2)10(12)3/h5-7,11,13-15H,4,8H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol?
3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol is sourced from PubChem (CID 113439879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).