2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol

C15H22O2 — CID 66368922

IUPAC2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol
SMILESCC(C)c1ccc(OC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H22O2/c1-10(2)11-5-7-12(8-6-11)17-14-9-13(16)15(14,3)4/h5-8,10,13-14,16H,9H2,1-4H3
InChIKeyAAPJENDIADFTEH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds3

About 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol

2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol (PubChem CID 66368922) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol
PubChem CID66368922
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol
SMILESCC(C)c1ccc(OC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H22O2/c1-10(2)11-5-7-12(8-6-11)17-14-9-13(16)15(14,3)4/h5-8,10,13-14,16H,9H2,1-4H3
InChIKeyAAPJENDIADFTEH-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66345004
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 107669420
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol (CID 66368922) is 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol is CC(C)c1ccc(OC2CC(O)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol?
The InChIKey is AAPJENDIADFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)11-5-7-12(8-6-11)17-14-9-13(16)15(14,3)4/h5-8,10,13-14,16H,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol?
2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).