[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone

C19H16OS — CID 102480096

IUPAC[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone
SMILESCc1cc(-c2ccc(C(=O)c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C19H16OS/c1-13-12-18(14(2)21-13)15-8-10-17(11-9-15)19(20)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyWQHSNOAXQWHYSR-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.26
Rot. Bonds3

About [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone

[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone (PubChem CID 102480096) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone
PubChem CID102480096
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone
SMILESCc1cc(-c2ccc(C(=O)c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C19H16OS/c1-13-12-18(14(2)21-13)15-8-10-17(11-9-15)19(20)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyWQHSNOAXQWHYSR-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
phenyl-(4-phenylphenyl)methanone
CID 155775877
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
diphenylmethanone;ethane;toluene
CID 157406780
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
2,5-dimethyl-4-(4-phenylbenzoyl)thiophene-3-carboxylic acid
CID 162734980
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
[4-(2-benzoyl-5-hydroxyphenyl)phenyl]-phenylmethanone
CID 121317125

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone (CID 102480096) is [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone is Cc1cc(-c2ccc(C(=O)c3ccccc3)cc2)c(C)s1.
What is the InChIKey of [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone?
The InChIKey is WQHSNOAXQWHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-13-12-18(14(2)21-13)15-8-10-17(11-9-15)19(20)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone?
[4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone has a molecular weight of 292.40 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylthiophen-3-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 102480096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).