(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

C14H11BrO3S — CID 24723496

IUPAC(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C14H11BrO3S/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2
InChIKeyFAHWAHPJWNYUCW-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.79
Rot. Bonds3

About (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 24723496) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
PubChem CID24723496
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(C2OCCO2)s1
InChIInChI=1S/C14H11BrO3S/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2
InChIKeyFAHWAHPJWNYUCW-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (CID 24723496) is (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is O=C(c1ccc(Br)cc1)c1ccc(C2OCCO2)s1.
What is the InChIKey of (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is FAHWAHPJWNYUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2.
What are the key properties of (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 339.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 24723496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).