2-[4-(2-bromophenyl)-5-chloropentyl]oxolane

C15H20BrClO — CID 79454100

IUPAC2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
SMILESClCC(CCCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C15H20BrClO/c16-15-9-2-1-8-14(15)12(11-17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11H2
InChIKeyAHBYRURNLUCHDR-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.12
Rot. Bonds6

About 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane

2-[4-(2-bromophenyl)-5-chloropentyl]oxolane (PubChem CID 79454100) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
PubChem CID79454100
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
SMILESClCC(CCCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C15H20BrClO/c16-15-9-2-1-8-14(15)12(11-17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11H2
InChIKeyAHBYRURNLUCHDR-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.68
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

2-[3-(2-bromophenyl)-4-chlorobutyl]oxolane
CID 79454250
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
CID 79454797
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane?
The IUPAC name of 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane (CID 79454100) is 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane.
What is the SMILES notation for 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane?
The canonical SMILES for 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane is ClCC(CCCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane?
The InChIKey is AHBYRURNLUCHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c16-15-9-2-1-8-14(15)12(11-17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11H2.
What are the key properties of 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane?
2-[4-(2-bromophenyl)-5-chloropentyl]oxolane has a molecular weight of 331.68 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-5-chloropentyl]oxolane is sourced from PubChem (CID 79454100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).