[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol

C13H18O5 — CID 116829748

IUPAC[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(OC)c(C2(CO)COC2)c(OC)c1
InChIInChI=1S/C13H18O5/c1-15-9-4-10(16-2)12(11(5-9)17-3)13(6-14)7-18-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeyAWCKHCDYYAFXQH-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.97
Rot. Bonds5

About [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol

[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol (PubChem CID 116829748) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
PubChem CID116829748
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
SMILESCOc1cc(OC)c(C2(CO)COC2)c(OC)c1
InChIInChI=1S/C13H18O5/c1-15-9-4-10(16-2)12(11(5-9)17-3)13(6-14)7-18-8-13/h4-5,14H,6-8H2,1-3H3
InChIKeyAWCKHCDYYAFXQH-UHFFFAOYSA-N
XLogP0.97
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194
[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
CID 117035253
[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
CID 132605134
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665

Frequently Asked Questions

What is the IUPAC name of [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol (CID 116829748) is [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol is COc1cc(OC)c(C2(CO)COC2)c(OC)c1.
What is the InChIKey of [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol?
The InChIKey is AWCKHCDYYAFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-15-9-4-10(16-2)12(11(5-9)17-3)13(6-14)7-18-8-13/h4-5,14H,6-8H2,1-3H3.
What are the key properties of [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol?
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol has a molecular weight of 254.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116829748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).