2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane

C13H17BrO2 — CID 23016156

IUPAC2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane
SMILESCC(C)(C)c1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C13H17BrO2/c1-13(2,3)9-4-5-11(14)10(8-9)12-15-6-7-16-12/h4-5,8,12H,6-7H2,1-3H3
InChIKeyRDDPNYSOYIJKJI-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane

2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane (PubChem CID 23016156) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane
PubChem CID23016156
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane
SMILESCC(C)(C)c1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C13H17BrO2/c1-13(2,3)9-4-5-11(14)10(8-9)12-15-6-7-16-12/h4-5,8,12H,6-7H2,1-3H3
InChIKeyRDDPNYSOYIJKJI-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852
2-[2-Bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 102433052
2-(2-Bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
(Z)-2-(4-(2-bromo-5-methylstyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713794
2-(2,4-Dibromophenyl)-1,3-dioxolane
CID 10662552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane (CID 23016156) is 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane is CC(C)(C)c1ccc(Br)c(C2OCCO2)c1.
What is the InChIKey of 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane?
The InChIKey is RDDPNYSOYIJKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-13(2,3)9-4-5-11(14)10(8-9)12-15-6-7-16-12/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane?
2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane has a molecular weight of 285.18 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-tert-butylphenyl)-1,3-dioxolane is sourced from PubChem (CID 23016156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).