ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone

C17H24OS — CID 142970474

IUPACethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCC.CC.Cc1ccc(C(=O)c2ccccc2C)s1
InChIInChI=1S/C13H12OS.2C2H6/c1-9-5-3-4-6-11(9)13(14)12-8-7-10(2)15-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyPDAYIBRYQQAOAN-UHFFFAOYSA-N
MW276.44 g/mol
LogP5.65
Rot. Bonds2

About ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone

ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 142970474) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Nameethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID142970474
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Nameethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCC.CC.Cc1ccc(C(=O)c2ccccc2C)s1
InChIInChI=1S/C13H12OS.2C2H6/c1-9-5-3-4-6-11(9)13(14)12-8-7-10(2)15-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyPDAYIBRYQQAOAN-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
CID 79215169
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone
CID 24723482
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
CID 79596715
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
ethane;1-(2-methylphenyl)ethanone
CID 91374073
2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone
CID 86026845
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone (CID 142970474) is ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone is CC.CC.Cc1ccc(C(=O)c2ccccc2C)s1.
What is the InChIKey of ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is PDAYIBRYQQAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS.2C2H6/c1-9-5-3-4-6-11(9)13(14)12-8-7-10(2)15-12;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone?
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 276.44 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 142970474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).