3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane

C14H19ClO2 — CID 116871414

IUPAC3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
SMILESCOc1cc(C(C)C)ccc1C1(CCl)COC1
InChIInChI=1S/C14H19ClO2/c1-10(2)11-4-5-12(13(6-11)16-3)14(7-15)8-17-9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyNPTNONVCMNNSOK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.33
Rot. Bonds4

About 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane

3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane (PubChem CID 116871414) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
PubChem CID116871414
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane
SMILESCOc1cc(C(C)C)ccc1C1(CCl)COC1
InChIInChI=1S/C14H19ClO2/c1-10(2)11-4-5-12(13(6-11)16-3)14(7-15)8-17-9-14/h4-6,10H,7-9H2,1-3H3
InChIKeyNPTNONVCMNNSOK-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.33
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-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
3-(2-methoxy-4-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 116871772
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
CID 116870342
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane?
The IUPAC name of 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane (CID 116871414) is 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane?
The canonical SMILES for 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane is COc1cc(C(C)C)ccc1C1(CCl)COC1.
What is the InChIKey of 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane?
The InChIKey is NPTNONVCMNNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-10(2)11-4-5-12(13(6-11)16-3)14(7-15)8-17-9-14/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane?
3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane has a molecular weight of 254.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-methoxy-4-propan-2-ylphenyl)oxetane is sourced from PubChem (CID 116871414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).