1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol

C15H22O2 — CID 106823500

IUPAC1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2c(C)cccc2C)C1
InChIInChI=1S/C15H22O2/c1-4-17-13-8-15(16,9-13)10-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10H2,1-3H3
InChIKeyRAXVULYRPGXCIY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.78
Rot. Bonds4

About 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol

1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol (PubChem CID 106823500) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
PubChem CID106823500
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2c(C)cccc2C)C1
InChIInChI=1S/C15H22O2/c1-4-17-13-8-15(16,9-13)10-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10H2,1-3H3
InChIKeyRAXVULYRPGXCIY-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823344
3-[(2,6-dimethylphenyl)methyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171962136
tert-butyl 3-[(2,6-dimethylphenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962121
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823423
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol (CID 106823500) is 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(Cc2c(C)cccc2C)C1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol?
The InChIKey is RAXVULYRPGXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-17-13-8-15(16,9-13)10-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol?
1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).