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

C16H24O4 — CID 66368713

IUPAC3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1c(OC)cccc1OC
InChIInChI=1S/C16H24O4/c1-5-16(6-2)13(17)10-14(16)20-15-11(18-3)8-7-9-12(15)19-4/h7-9,13-14,17H,5-6,10H2,1-4H3
InChIKeyJGRIHIOETOULBK-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.02
Rot. Bonds6

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

3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol (PubChem CID 66368713) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
PubChem CID66368713
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1c(OC)cccc1OC
InChIInChI=1S/C16H24O4/c1-5-16(6-2)13(17)10-14(16)20-15-11(18-3)8-7-9-12(15)19-4/h7-9,13-14,17H,5-6,10H2,1-4H3
InChIKeyJGRIHIOETOULBK-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
CID 66367084
3-(2,6-dimethoxyphenoxy)-2-ethoxycyclobutan-1-ol
CID 104675270
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
2,2-diethyl-3-(5-fluoro-2-nitrophenoxy)cyclobutan-1-ol
CID 66367092
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 66358090
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
3-(2,6-dimethoxyphenoxy)cyclobutan-1-amine
CID 66356674
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
CID 82825677

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol (CID 66368713) is 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol?
The InChIKey is JGRIHIOETOULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-16(6-2)13(17)10-14(16)20-15-11(18-3)8-7-9-12(15)19-4/h7-9,13-14,17H,5-6,10H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol?
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol is sourced from PubChem (CID 66368713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).