2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane

C15H21BrO3 — CID 83958152

IUPAC2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCOc1ccc(Br)cc1C1(CCC)OCCO1
InChIInChI=1S/C15H21BrO3/c1-3-7-15(18-9-10-19-15)13-11-12(16)5-6-14(13)17-8-4-2/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyXLQMSSLHUFJSJM-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.24
Rot. Bonds6

About 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane

2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane (PubChem CID 83958152) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
PubChem CID83958152
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
SMILESCCCOc1ccc(Br)cc1C1(CCC)OCCO1
InChIInChI=1S/C15H21BrO3/c1-3-7-15(18-9-10-19-15)13-11-12(16)5-6-14(13)17-8-4-2/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyXLQMSSLHUFJSJM-UHFFFAOYSA-N
XLogP4.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
CID 83958722
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
CID 83958921
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83959353
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
CID 83958306
4-bromo-1,2-dibutoxybenzene
CID 10870333
N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580850
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 62518917

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane (CID 83958152) is 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane is CCCOc1ccc(Br)cc1C1(CCC)OCCO1.
What is the InChIKey of 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane?
The InChIKey is XLQMSSLHUFJSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-3-7-15(18-9-10-19-15)13-11-12(16)5-6-14(13)17-8-4-2/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane?
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane has a molecular weight of 329.23 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83958152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).