[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone

C18H14OS — CID 170851479

IUPAC[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
SMILESCc1ccc(-c2csc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C18H14OS/c1-13-7-9-14(10-8-13)16-11-17(20-12-16)18(19)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyJQPFNJIDHXIEMD-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.95
Rot. Bonds3

About [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone

[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone (PubChem CID 170851479) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
PubChem CID170851479
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
SMILESCc1ccc(-c2csc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C18H14OS/c1-13-7-9-14(10-8-13)16-11-17(20-12-16)18(19)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyJQPFNJIDHXIEMD-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
[4-(aminomethyl)thiophen-2-yl]-phenylmethanone
CID 12574077
diphenylmethanone;ethane;toluene
CID 157406780
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
phenyl-(4-phenylphenyl)methanone
CID 155775877
4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
4-(4-bromophenyl)thiophene-2-carboxylic acid
CID 2757170
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone (CID 170851479) is [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone is Cc1ccc(-c2csc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone?
The InChIKey is JQPFNJIDHXIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-13-7-9-14(10-8-13)16-11-17(20-12-16)18(19)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone?
[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone has a molecular weight of 278.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 170851479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).