1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone

C11H11BrO3 — CID 66570596

IUPAC1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,11H,5-7H2
InChIKeySEYZZJSEGGRCRG-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone

1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 66570596) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID66570596
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,11H,5-7H2
InChIKeySEYZZJSEGGRCRG-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 90923108
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374
2-[2-(4-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53411629
1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone (CID 66570596) is 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone is O=C(CC1OCCO1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is SEYZZJSEGGRCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,11H,5-7H2.
What are the key properties of 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 271.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 66570596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).