(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

C16H16O3S — CID 24723542

IUPAC(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESCc1cccc(C)c1C(=O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C16H16O3S/c1-10-4-3-5-11(2)14(10)15(17)12-6-7-13(20-12)16-18-8-9-19-16/h3-7,16H,8-9H2,1-2H3
InChIKeyZSJBZMSACZPPNK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.64
Rot. Bonds3

About (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone

(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 24723542) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
PubChem CID24723542
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
SMILESCc1cccc(C)c1C(=O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C16H16O3S/c1-10-4-3-5-11(2)14(10)15(17)12-6-7-13(20-12)16-18-8-9-19-16/h3-7,16H,8-9H2,1-2H3
InChIKeyZSJBZMSACZPPNK-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone (CID 24723542) is (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is Cc1cccc(C)c1C(=O)c1ccc(C2OCCO2)s1.
What is the InChIKey of (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is ZSJBZMSACZPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-10-4-3-5-11(2)14(10)15(17)12-6-7-13(20-12)16-18-8-9-19-16/h3-7,16H,8-9H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone?
(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 288.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 24723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).