3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane

C15H20BrClO2 — CID 104546511

IUPAC3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCOc1ccc(Cl)cc1C(Br)C1C(C)OC(C)C1C
InChIInChI=1S/C15H20BrClO2/c1-8-9(2)19-10(3)14(8)15(16)12-7-11(17)5-6-13(12)18-4/h5-10,14-15H,1-4H3
InChIKeyDZYXXQOAPLXMJT-UHFFFAOYSA-N
MW347.68 g/mol
LogP4.84
Rot. Bonds3

About 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane

3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane (PubChem CID 104546511) has the molecular formula C15H20BrClO2 and a molecular weight of 347.68 g/mol. Its IUPAC name is 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
PubChem CID104546511
Molecular FormulaC15H20BrClO2
Molecular Weight347.68 g/mol
Exact Mass346.03
IUPAC Name3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCOc1ccc(Cl)cc1C(Br)C1C(C)OC(C)C1C
InChIInChI=1S/C15H20BrClO2/c1-8-9(2)19-10(3)14(8)15(16)12-7-11(17)5-6-13(12)18-4/h5-10,14-15H,1-4H3
InChIKeyDZYXXQOAPLXMJT-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 54.84
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

[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105300931
3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 65157879
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 107182621
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 104546565
3-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 81050749
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane?
The IUPAC name of 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane (CID 104546511) is 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane?
The canonical SMILES for 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane is COc1ccc(Cl)cc1C(Br)C1C(C)OC(C)C1C.
What is the InChIKey of 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane?
The InChIKey is DZYXXQOAPLXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO2/c1-8-9(2)19-10(3)14(8)15(16)12-7-11(17)5-6-13(12)18-4/h5-10,14-15H,1-4H3.
What are the key properties of 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane?
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane has a molecular weight of 347.68 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane is sourced from PubChem (CID 104546511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).