5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran

C22H18OS — CID 102585445

IUPAC5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran
SMILESCc1ccc(Sc2c(-c3ccccc3)oc3ccc(C)cc23)cc1
InChIInChI=1S/C22H18OS/c1-15-8-11-18(12-9-15)24-22-19-14-16(2)10-13-20(19)23-21(22)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyHDHJVGKAVDJYIA-UHFFFAOYSA-N
MW330.45 g/mol
LogP6.87
Rot. Bonds3

About 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran

5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran (PubChem CID 102585445) has the molecular formula C22H18OS and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran
PubChem CID102585445
Molecular FormulaC22H18OS
Molecular Weight330.45 g/mol
Exact Mass330.11
IUPAC Name5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran
SMILESCc1ccc(Sc2c(-c3ccccc3)oc3ccc(C)cc23)cc1
InChIInChI=1S/C22H18OS/c1-15-8-11-18(12-9-15)24-22-19-14-16(2)10-13-20(19)23-21(22)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyHDHJVGKAVDJYIA-UHFFFAOYSA-N
XLogP6.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
2-(4-fluorophenyl)-5-iodo-3-phenylsulfanyl-1-benzofuran
CID 123827188
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
5-(4-fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran
CID 57498451
2-methyl-7-phenylxanthen-9-one
CID 123326805
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
5-methyl-3-phenyl-1-benzofuran-2-ol
CID 162399552
3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
CID 123804668
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
2-methyl-3-phenylsulfanyl-5-propan-2-yl-1-benzofuran
CID 91085598
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
CID 118594281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran?
The IUPAC name of 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran (CID 102585445) is 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran is Cc1ccc(Sc2c(-c3ccccc3)oc3ccc(C)cc23)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran?
The InChIKey is HDHJVGKAVDJYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18OS/c1-15-8-11-18(12-9-15)24-22-19-14-16(2)10-13-20(19)23-21(22)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran?
5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran has a molecular weight of 330.45 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran is sourced from PubChem (CID 102585445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).