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

C14H14OS — CID 43462518

IUPAC(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2sccc2C)c1
InChIInChI=1S/C14H14OS/c1-9-4-5-10(2)12(8-9)13(15)14-11(3)6-7-16-14/h4-8H,1-3H3
InChIKeyLUVZDCHXFXLERI-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.90
Rot. Bonds2

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

(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 43462518) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
PubChem CID43462518
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2sccc2C)c1
InChIInChI=1S/C14H14OS/c1-9-4-5-10(2)12(8-9)13(15)14-11(3)6-7-16-14/h4-8H,1-3H3
InChIKeyLUVZDCHXFXLERI-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105085743
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2433030
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381368
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(5-amino-1H-pyrazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 79992375
1-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 83957669
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone (CID 43462518) is (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone is Cc1ccc(C)c(C(=O)c2sccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is LUVZDCHXFXLERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-9-4-5-10(2)12(8-9)13(15)14-11(3)6-7-16-14/h4-8H,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone?
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43462518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).