4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene

C19H20S — CID 59545636

IUPAC4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene
SMILESCc1ccc(CCc2cc(C)c3sccc3c2C)cc1
InChIInChI=1S/C19H20S/c1-13-4-6-16(7-5-13)8-9-17-12-14(2)19-18(15(17)3)10-11-20-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyBZWMXJZFVSLZGK-UHFFFAOYSA-N
MW280.44 g/mol
LogP5.61
Rot. Bonds3

About 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene

4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene (PubChem CID 59545636) has the molecular formula C19H20S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene.

Molecular Properties

Compound Name4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene
PubChem CID59545636
Molecular FormulaC19H20S
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Name4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene
SMILESCc1ccc(CCc2cc(C)c3sccc3c2C)cc1
InChIInChI=1S/C19H20S/c1-13-4-6-16(7-5-13)8-9-17-12-14(2)19-18(15(17)3)10-11-20-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyBZWMXJZFVSLZGK-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene
CID 91352133
4,5,7-trimethyl-1-benzothiophene
CID 59646225
1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
CID 168781285
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
N-[(4-aminophenyl)methyl]-4,7-dimethyl-1-benzothiophen-5-amine
CID 59230801
2-[3-[2-(4-methylphenyl)ethyl]thiophen-2-yl]pyridine
CID 122386358
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130899140
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene?
The IUPAC name of 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene (CID 59545636) is 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene.
What is the SMILES notation for 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene?
The canonical SMILES for 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene is Cc1ccc(CCc2cc(C)c3sccc3c2C)cc1.
What is the InChIKey of 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene?
The InChIKey is BZWMXJZFVSLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20S/c1-13-4-6-16(7-5-13)8-9-17-12-14(2)19-18(15(17)3)10-11-20-19/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene?
4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene has a molecular weight of 280.44 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5-[2-(4-methylphenyl)ethyl]-1-benzothiophene is sourced from PubChem (CID 59545636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).