(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone

C14H14O3S — CID 43160799

IUPAC(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(C)s1
InChIInChI=1S/C14H14O3S/c1-9-7-8-12(18-9)14(15)13-10(16-2)5-4-6-11(13)17-3/h4-8H,1-3H3
InChIKeyVOPNZNIZMMPZDG-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.30
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone

(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 43160799) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID43160799
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(C)s1
InChIInChI=1S/C14H14O3S/c1-9-7-8-12(18-9)14(15)13-10(16-2)5-4-6-11(13)17-3/h4-8H,1-3H3
InChIKeyVOPNZNIZMMPZDG-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone (CID 43160799) is (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone is COc1cccc(OC)c1C(=O)c1ccc(C)s1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is VOPNZNIZMMPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-7-8-12(18-9)14(15)13-10(16-2)5-4-6-11(13)17-3/h4-8H,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone?
(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 262.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43160799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).