3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane

C16H21ClO2 — CID 102941014

IUPAC3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
SMILESClCC1(COCc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H21ClO2/c17-11-16(8-9-19-15(16)14-6-7-14)12-18-10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeySPHBSTQCQAHNER-UHFFFAOYSA-N
MW280.79 g/mol
LogP3.63
Rot. Bonds6

About 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane

3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane (PubChem CID 102941014) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
PubChem CID102941014
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
SMILESClCC1(COCc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H21ClO2/c17-11-16(8-9-19-15(16)14-6-7-14)12-18-10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeySPHBSTQCQAHNER-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-(phenylmethoxymethyl)oxolane-3-carboxylic acid
CID 102940040
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
3-[1-(chloromethyl)-2-methylcyclopropyl]propoxymethylbenzene
CID 165445447
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
CID 130537408
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
CID 178086596
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane (CID 102941014) is 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane is ClCC1(COCc2ccccc2)CCOC1C1CC1.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane?
The InChIKey is SPHBSTQCQAHNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c17-11-16(8-9-19-15(16)14-6-7-14)12-18-10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane?
3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane has a molecular weight of 280.79 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 102941014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).