(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

C16H13BrO3 — CID 24726716

IUPAC(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2
InChIKeyVSRZSEWGZUJJHG-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.73
Rot. Bonds3

About (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 24726716) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID24726716
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2
InChIKeyVSRZSEWGZUJJHG-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (CID 24726716) is (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(C2OCCO2)cc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is VSRZSEWGZUJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2.
What are the key properties of (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
(3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 333.18 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 24726716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).