3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol

C13H18O2 — CID 106823825

IUPAC3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(C)cc2)C1
InChIInChI=1S/C13H18O2/c1-10-3-5-11(6-4-10)7-13(14)8-12(9-13)15-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyHAPUJOHLAXGQCL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.08
Rot. Bonds3

About 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol

3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol (PubChem CID 106823825) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
PubChem CID106823825
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(C)cc2)C1
InChIInChI=1S/C13H18O2/c1-10-3-5-11(6-4-10)7-13(14)8-12(9-13)15-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyHAPUJOHLAXGQCL-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 22628376
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 11871665
1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 62977841
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.1]heptane
CID 84776450

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol (CID 106823825) is 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol is COC1CC(O)(Cc2ccc(C)cc2)C1.
What is the InChIKey of 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol?
The InChIKey is HAPUJOHLAXGQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-3-5-11(6-4-10)7-13(14)8-12(9-13)15-2/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol?
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).