2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone

C17H15BrO3 — CID 57379071

IUPAC2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1Br)C1OCCO1
InChIInChI=1S/C17H15BrO3/c18-14-9-5-4-8-13(14)15(17-20-10-11-21-17)16(19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2
InChIKeyDNESPFWTRAYINR-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone

2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone (PubChem CID 57379071) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone
PubChem CID57379071
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1Br)C1OCCO1
InChIInChI=1S/C17H15BrO3/c18-14-9-5-4-8-13(14)15(17-20-10-11-21-17)16(19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2
InChIKeyDNESPFWTRAYINR-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-bromo-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-phenylethanone
CID 129395751
2-(oxiran-2-yl)-1,2-diphenylethanone
CID 89270842
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
CID 116516668
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid
CID 4285852
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 95858564
2,5-dibromo-1,6-diphenylhexane-1,6-dione
CID 2762432
1-[1-(2-bromophenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071123
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone?
The IUPAC name of 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone (CID 57379071) is 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone is O=C(c1ccccc1)C(c1ccccc1Br)C1OCCO1.
What is the InChIKey of 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone?
The InChIKey is DNESPFWTRAYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c18-14-9-5-4-8-13(14)15(17-20-10-11-21-17)16(19)12-6-2-1-3-7-12/h1-9,15,17H,10-11H2.
What are the key properties of 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone?
2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone has a molecular weight of 347.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone is sourced from PubChem (CID 57379071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).