3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol

C17H26O — CID 103564047

IUPAC3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol
SMILESCc1cc(C)c(CC2(O)CC(C(C)C)C2)c(C)c1
InChIInChI=1S/C17H26O/c1-11(2)15-8-17(18,9-15)10-16-13(4)6-12(3)7-14(16)5/h6-7,11,15,18H,8-10H2,1-5H3
InChIKeyCHXYGFYNPKVQIZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.95
Rot. Bonds3

About 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol

3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol (PubChem CID 103564047) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol
PubChem CID103564047
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol
SMILESCc1cc(C)c(CC2(O)CC(C(C)C)C2)c(C)c1
InChIInChI=1S/C17H26O/c1-11(2)15-8-17(18,9-15)10-16-13(4)6-12(3)7-14(16)5/h6-7,11,15,18H,8-10H2,1-5H3
InChIKeyCHXYGFYNPKVQIZ-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol (CID 103564047) is 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol is Cc1cc(C)c(CC2(O)CC(C(C)C)C2)c(C)c1.
What is the InChIKey of 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol?
The InChIKey is CHXYGFYNPKVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-11(2)15-8-17(18,9-15)10-16-13(4)6-12(3)7-14(16)5/h6-7,11,15,18H,8-10H2,1-5H3.
What are the key properties of 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol?
3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 103564047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).