2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol

C15H22O3 — CID 66367495

IUPAC2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cccc(OC)c1
InChIInChI=1S/C15H22O3/c1-4-15(5-2)13(16)10-14(15)18-12-8-6-7-11(9-12)17-3/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeySQTXDLMCVXFBKJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds5

About 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol

2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol (PubChem CID 66367495) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
PubChem CID66367495
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cccc(OC)c1
InChIInChI=1S/C15H22O3/c1-4-15(5-2)13(16)10-14(15)18-12-8-6-7-11(9-12)17-3/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeySQTXDLMCVXFBKJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
CID 66367084
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66368713
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
CID 102703796
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 66368731
1-(3-bromo-2,2-diethylcyclobutyl)oxy-3-tert-butylbenzene
CID 66343661
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
3-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
3-(3-fluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66368118
1-(3-chloro-2,2-diethylcyclobutyl)oxy-3-methylsulfonylbenzene
CID 66345990
2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
CID 66357441

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol (CID 66367495) is 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1cccc(OC)c1.
What is the InChIKey of 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol?
The InChIKey is SQTXDLMCVXFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-15(5-2)13(16)10-14(15)18-12-8-6-7-11(9-12)17-3/h6-9,13-14,16H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol?
2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66367495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).