(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone

C14H14OS — CID 79803234

IUPAC(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCCc1ccc(C(=O)c2cscc2C)cc1
InChIInChI=1S/C14H14OS/c1-3-11-4-6-12(7-5-11)14(15)13-9-16-8-10(13)2/h4-9H,3H2,1-2H3
InChIKeyBRJMHBBVWBLSDK-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.85
Rot. Bonds3

About (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone

(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79803234) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
PubChem CID79803234
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCCc1ccc(C(=O)c2cscc2C)cc1
InChIInChI=1S/C14H14OS/c1-3-11-4-6-12(7-5-11)14(15)13-9-16-8-10(13)2/h4-9H,3H2,1-2H3
InChIKeyBRJMHBBVWBLSDK-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79812478
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
3-(4-ethylbenzoyl)-2-hydroxybenzoic acid
CID 150574135
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone (CID 79803234) is (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone is CCc1ccc(C(=O)c2cscc2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is BRJMHBBVWBLSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-3-11-4-6-12(7-5-11)14(15)13-9-16-8-10(13)2/h4-9H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone?
(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 230.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79803234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).