(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone

C20H18OS — CID 132519427

IUPAC(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(-c3ccccc3)sc(C)c2C)cc1
InChIInChI=1S/C20H18OS/c1-13-9-11-16(12-10-13)19(21)18-14(2)15(3)22-20(18)17-7-5-4-6-8-17/h4-12H,1-3H3
InChIKeyYTGVEZFXIQSPKO-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.57
Rot. Bonds3

About (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone

(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone (PubChem CID 132519427) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
PubChem CID132519427
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(-c3ccccc3)sc(C)c2C)cc1
InChIInChI=1S/C20H18OS/c1-13-9-11-16(12-10-13)19(21)18-14(2)15(3)22-20(18)17-7-5-4-6-8-17/h4-12H,1-3H3
InChIKeyYTGVEZFXIQSPKO-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4,5-dimethyl-3-(4-phenylbenzoyl)thiophen-2-yl]acetamide
CID 10970141
2,5-dimethyl-4-(4-phenylbenzoyl)thiophene-3-carboxylic acid
CID 162734980
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
3-benzoyl-4,5-dimethylthiophene-2-carboxylic acid
CID 11821344
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
N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]-2-fluorobenzamide
CID 1374953
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
phenyl-(4-phenylphenyl)methanone
CID 155775877
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151683
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone (CID 132519427) is (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(-c3ccccc3)sc(C)c2C)cc1.
What is the InChIKey of (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone?
The InChIKey is YTGVEZFXIQSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-13-9-11-16(12-10-13)19(21)18-14(2)15(3)22-20(18)17-7-5-4-6-8-17/h4-12H,1-3H3.
What are the key properties of (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone?
(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone has a molecular weight of 306.43 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 132519427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).