3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane

C15H17BrCl2O — CID 107310849

IUPAC3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
SMILESClc1cccc(CC2(CBr)CCOC2C2CC2)c1Cl
InChIInChI=1S/C15H17BrCl2O/c16-9-15(6-7-19-14(15)10-4-5-10)8-11-2-1-3-12(17)13(11)18/h1-3,10,14H,4-9H2
InChIKeyZJVJAIQLYMTNHN-UHFFFAOYSA-N
MW364.11 g/mol
LogP5.12
Rot. Bonds4

About 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane

3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane (PubChem CID 107310849) has the molecular formula C15H17BrCl2O and a molecular weight of 364.11 g/mol. Its IUPAC name is 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
PubChem CID107310849
Molecular FormulaC15H17BrCl2O
Molecular Weight364.11 g/mol
Exact Mass361.98
IUPAC Name3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
SMILESClc1cccc(CC2(CBr)CCOC2C2CC2)c1Cl
InChIInChI=1S/C15H17BrCl2O/c16-9-15(6-7-19-14(15)10-4-5-10)8-11-2-1-3-12(17)13(11)18/h1-3,10,14H,4-9H2
InChIKeyZJVJAIQLYMTNHN-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.11
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107309845
3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane
CID 104510672
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
CID 107310642
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534792
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane?
The IUPAC name of 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane (CID 107310849) is 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane.
What is the SMILES notation for 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane?
The canonical SMILES for 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane is Clc1cccc(CC2(CBr)CCOC2C2CC2)c1Cl.
What is the InChIKey of 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane?
The InChIKey is ZJVJAIQLYMTNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrCl2O/c16-9-15(6-7-19-14(15)10-4-5-10)8-11-2-1-3-12(17)13(11)18/h1-3,10,14H,4-9H2.
What are the key properties of 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane?
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane has a molecular weight of 364.11 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane is sourced from PubChem (CID 107310849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).