[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol

C14H20O — CID 116963739

IUPAC[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol
SMILESCc1cc(C)c(C2(CO)CCC2)c(C)c1
InChIInChI=1S/C14H20O/c1-10-7-11(2)13(12(3)8-10)14(9-15)5-4-6-14/h7-8,15H,4-6,9H2,1-3H3
InChIKeyVRGLVMOJDMPFKI-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.03
Rot. Bonds2

About [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol

[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol (PubChem CID 116963739) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol
PubChem CID116963739
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol
SMILESCc1cc(C)c(C2(CO)CCC2)c(C)c1
InChIInChI=1S/C14H20O/c1-10-7-11(2)13(12(3)8-10)14(9-15)5-4-6-14/h7-8,15H,4-6,9H2,1-3H3
InChIKeyVRGLVMOJDMPFKI-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol?
The IUPAC name of [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol (CID 116963739) is [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol?
The canonical SMILES for [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol is Cc1cc(C)c(C2(CO)CCC2)c(C)c1.
What is the InChIKey of [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol?
The InChIKey is VRGLVMOJDMPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-7-11(2)13(12(3)8-10)14(9-15)5-4-6-14/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol?
[1-(2,4,6-trimethylphenyl)cyclobutyl]methanol has a molecular weight of 204.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trimethylphenyl)cyclobutyl]methanol is sourced from PubChem (CID 116963739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).