2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane

C11H13BrO2 — CID 118022362

IUPAC2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
SMILESBrc1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C11H13BrO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2
InChIKeyFVNYBWSBPXTCLN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane

2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane (PubChem CID 118022362) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
PubChem CID118022362
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
SMILESBrc1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C11H13BrO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2
InChIKeyFVNYBWSBPXTCLN-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-[4-[2-(1,3-dioxolan-2-yl)ethyl]-3-fluorophenyl]phenyl]ethyl]-1,3-dioxolane
CID 155139396
2-[(4-bromophenyl)methyl]-1,3-dioxane
CID 67156103
1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 90923108
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
2-[3-(4-bromo-2-fluorophenyl)propyl]-1,3-dioxolane
CID 68574881
4-[3-(1,3-dioxolan-2-yl)propyl]benzoic acid
CID 23468115
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570596
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
(1S)-1-(4-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane (CID 118022362) is 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane is Brc1ccc(CCC2OCCO2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane?
The InChIKey is FVNYBWSBPXTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane?
2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane has a molecular weight of 257.13 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 118022362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).