(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone

C14H14O3S — CID 43462545

IUPAC(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2sccc2C)c1
InChIInChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8H,1-3H3
InChIKeyHOXWBQHLRJHWMK-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.30
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone

(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 43462545) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
PubChem CID43462545
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2sccc2C)c1
InChIInChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8H,1-3H3
InChIKeyHOXWBQHLRJHWMK-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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Related Compounds

(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone (CID 43462545) is (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone is COc1ccc(OC)c(C(=O)c2sccc2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is HOXWBQHLRJHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-6-7-18-14(9)13(15)11-8-10(16-2)4-5-12(11)17-3/h4-8H,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone?
(2,5-dimethoxyphenyl)-(3-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 (2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43462545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).