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

C13H18O — CID 81416088

IUPAC2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2CC(O)C2(C)C)cc1
InChIInChI=1S/C13H18O/c1-9-4-6-10(7-5-9)11-8-12(14)13(11,2)3/h4-7,11-12,14H,8H2,1-3H3
InChIKeyIKIFTLZEVUNXNB-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds1

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

2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol (PubChem CID 81416088) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
PubChem CID81416088
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2CC(O)C2(C)C)cc1
InChIInChI=1S/C13H18O/c1-9-4-6-10(7-5-9)11-8-12(14)13(11,2)3/h4-7,11-12,14H,8H2,1-3H3
InChIKeyIKIFTLZEVUNXNB-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol (CID 81416088) is 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol is Cc1ccc(C2CC(O)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol?
The InChIKey is IKIFTLZEVUNXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-4-6-10(7-5-9)11-8-12(14)13(11,2)3/h4-7,11-12,14H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol?
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 81416088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).