3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol

C13H18O4 — CID 116873054

IUPAC3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
SMILESCOc1cc(C2(O)COC2)c(OC)c(C)c1C
InChIInChI=1S/C13H18O4/c1-8-9(2)12(16-4)10(5-11(8)15-3)13(14)6-17-7-13/h5,14H,6-7H2,1-4H3
InChIKeyRHZSMJQNXDHMNV-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.54
Rot. Bonds3

About 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol

3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol (PubChem CID 116873054) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
PubChem CID116873054
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
SMILESCOc1cc(C2(O)COC2)c(OC)c(C)c1C
InChIInChI=1S/C13H18O4/c1-8-9(2)12(16-4)10(5-11(8)15-3)13(14)6-17-7-13/h5,14H,6-7H2,1-4H3
InChIKeyRHZSMJQNXDHMNV-UHFFFAOYSA-N
XLogP1.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 116842907
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842398
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
CID 84780188
3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869271
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol?
The IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol (CID 116873054) is 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol is COc1cc(C2(O)COC2)c(OC)c(C)c1C.
What is the InChIKey of 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol?
The InChIKey is RHZSMJQNXDHMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8-9(2)12(16-4)10(5-11(8)15-3)13(14)6-17-7-13/h5,14H,6-7H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol?
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol has a molecular weight of 238.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol is sourced from PubChem (CID 116873054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).