2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol

C15H22O — CID 81415265

IUPAC2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(C)cc1
InChIInChI=1S/C15H22O/c1-4-15(5-2)13(10-14(15)16)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyPJNJCBRKEWJYJJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.65
Rot. Bonds3

About 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol

2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol (PubChem CID 81415265) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
PubChem CID81415265
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(C)cc1
InChIInChI=1S/C15H22O/c1-4-15(5-2)13(10-14(15)16)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3
InChIKeyPJNJCBRKEWJYJJ-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-diethyl-3-(4-methylphenyl)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-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
CID 81415983
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415026
2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
CID 81416387
2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
CID 81415976
3-(4-ethylphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416562
2,2-diethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-ol
CID 81416344
1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene
CID 20741049
2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416147
2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
CID 66367084
4-(2-ethyl-3-hydroxy-2-methylcyclobutyl)benzonitrile
CID 81416676

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol (CID 81415265) is 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol is CCC1(CC)C(O)CC1c1ccc(C)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The InChIKey is PJNJCBRKEWJYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-15(5-2)13(10-14(15)16)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol?
2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 81415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).