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

C15H22O2 — CID 66367084

IUPAC2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cccc(C)c1
InChIInChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-8-6-7-11(3)9-12/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyXLINNJRQTLDDRO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds4

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

2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol (PubChem CID 66367084) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
PubChem CID66367084
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1Oc1cccc(C)c1
InChIInChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-8-6-7-11(3)9-12/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyXLINNJRQTLDDRO-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
CID 66367495
3-(2,6-dimethoxyphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66368713
2,2-diethyl-3-(2-methylphenoxy)cyclobutan-1-ol
CID 66367501
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 66368731
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
4-methyl-2-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420154
2,2-diethyl-3-(3-iodophenoxy)-N-propylcyclobutan-1-amine
CID 66357441
1-(3-chloro-2,2-diethylcyclobutyl)oxy-3-methylsulfonylbenzene
CID 66345990
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
(3R)-3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 96572175
3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 70711948
2,2-diethyl-3-(5-methoxy-2-nitrophenoxy)cyclobutan-1-ol
CID 102703796

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol (CID 66367084) is 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1Oc1cccc(C)c1.
What is the InChIKey of 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol?
The InChIKey is XLINNJRQTLDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(5-2)13(16)10-14(15)17-12-8-6-7-11(3)9-12/h6-9,13-14,16H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol?
2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).