[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol

C13H18O3 — CID 116829779

IUPAC[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
SMILESCOc1c(C)cc(C2(CO)COC2)cc1C
InChIInChI=1S/C13H18O3/c1-9-4-11(5-10(2)12(9)15-3)13(6-14)7-16-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeySOJVQYMFHQTYLH-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.57
Rot. Bonds3

About [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol

[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol (PubChem CID 116829779) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
PubChem CID116829779
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
SMILESCOc1c(C)cc(C2(CO)COC2)cc1C
InChIInChI=1S/C13H18O3/c1-9-4-11(5-10(2)12(9)15-3)13(6-14)7-16-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeySOJVQYMFHQTYLH-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanethiol
CID 116872512
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870103
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870298
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol
CID 131592478
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol (CID 116829779) is [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol is COc1c(C)cc(C2(CO)COC2)cc1C.
What is the InChIKey of [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol?
The InChIKey is SOJVQYMFHQTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-4-11(5-10(2)12(9)15-3)13(6-14)7-16-8-13/h4-5,14H,6-8H2,1-3H3.
What are the key properties of [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol?
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).