3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol

C14H20O — CID 81416674

IUPAC3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(C)c(C2CC(O)C2(C)C)c1
InChIInChI=1S/C14H20O/c1-9-5-6-10(2)11(7-9)12-8-13(15)14(12,3)4/h5-7,12-13,15H,8H2,1-4H3
InChIKeyZYJHSSUTKSUKTR-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.18
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol

3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 81416674) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol
PubChem CID81416674
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(C)c(C2CC(O)C2(C)C)c1
InChIInChI=1S/C14H20O/c1-9-5-6-10(2)11(7-9)12-8-13(15)14(12,3)4/h5-7,12-13,15H,8H2,1-4H3
InChIKeyZYJHSSUTKSUKTR-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
CID 159439039
trans-(1S,3S)-3-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94767686
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
(2R,4R)-2,6-dimethyl-3,4-dihydro-2H-chromen-4-ol
CID 124573509
3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 82157980
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
3-(2,4-dimethylphenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81417184

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol (CID 81416674) is 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol is Cc1ccc(C)c(C2CC(O)C2(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ZYJHSSUTKSUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-6-10(2)11(7-9)12-8-13(15)14(12,3)4/h5-7,12-13,15H,8H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol?
3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81416674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).