[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol

C14H20O3 — CID 116930388

IUPAC[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)cc(C)c1CC1(CO)COC1
InChIInChI=1S/C14H20O3/c1-10-4-11(2)12(13(5-10)16-3)6-14(7-15)8-17-9-14/h4-5,15H,6-9H2,1-3H3
InChIKeyPYAFPHWCVSXZFV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.86
Rot. Bonds4

About [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol

[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116930388) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116930388
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C)cc(C)c1CC1(CO)COC1
InChIInChI=1S/C14H20O3/c1-10-4-11(2)12(13(5-10)16-3)6-14(7-15)8-17-9-14/h4-5,15H,6-9H2,1-3H3
InChIKeyPYAFPHWCVSXZFV-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol (CID 116930388) is [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol is COc1cc(C)cc(C)c1CC1(CO)COC1.
What is the InChIKey of [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is PYAFPHWCVSXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-4-11(2)12(13(5-10)16-3)6-14(7-15)8-17-9-14/h4-5,15H,6-9H2,1-3H3.
What are the key properties of [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol?
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116930388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).