3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane

C14H19ClO2 — CID 116871462

IUPAC3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
SMILESCOc1cc(C)c(C2(CCl)COC2)c(C)c1C
InChIInChI=1S/C14H19ClO2/c1-9-5-12(16-4)10(2)11(3)13(9)14(6-15)7-17-8-14/h5H,6-8H2,1-4H3
InChIKeyAJDDLEQTTFMQNH-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.13
Rot. Bonds3

About 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane

3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane (PubChem CID 116871462) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
PubChem CID116871462
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
SMILESCOc1cc(C)c(C2(CCl)COC2)c(C)c1C
InChIInChI=1S/C14H19ClO2/c1-9-5-12(16-4)10(2)11(3)13(9)14(6-15)7-17-8-14/h5H,6-8H2,1-4H3
InChIKeyAJDDLEQTTFMQNH-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
[3-(5-chloro-4-methoxy-2-methylphenyl)oxetan-3-yl]methanol
CID 116829719
3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
CID 116871414
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873879
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
N-(2-chloroethyl)-2-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 115215127
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane?
The IUPAC name of 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane (CID 116871462) is 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane.
What is the SMILES notation for 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane?
The canonical SMILES for 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane is COc1cc(C)c(C2(CCl)COC2)c(C)c1C.
What is the InChIKey of 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane?
The InChIKey is AJDDLEQTTFMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-9-5-12(16-4)10(2)11(3)13(9)14(6-15)7-17-8-14/h5H,6-8H2,1-4H3.
What are the key properties of 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane?
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane has a molecular weight of 254.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane is sourced from PubChem (CID 116871462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).