1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene

C20H24S — CID 155216112

IUPAC1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
SMILESCSc1ccc(CC2CCC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H24S/c1-15-3-8-18(9-4-15)19-10-5-17(14-19)13-16-6-11-20(21-2)12-7-16/h3-4,6-9,11-12,17,19H,5,10,13-14H2,1-2H3
InChIKeyZZONKQNFHONKPO-UHFFFAOYSA-N
MW296.48 g/mol
LogP5.84
Rot. Bonds4

About 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene

1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene (PubChem CID 155216112) has the molecular formula C20H24S and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
PubChem CID155216112
Molecular FormulaC20H24S
Molecular Weight296.48 g/mol
Exact Mass296.16
IUPAC Name1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
SMILESCSc1ccc(CC2CCC(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C20H24S/c1-15-3-8-18(9-4-15)19-10-5-17(14-19)13-16-6-11-20(21-2)12-7-16/h3-4,6-9,11-12,17,19H,5,10,13-14H2,1-2H3
InChIKeyZZONKQNFHONKPO-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene?
The IUPAC name of 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene (CID 155216112) is 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene.
What is the SMILES notation for 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene?
The canonical SMILES for 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene is CSc1ccc(CC2CCC(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene?
The InChIKey is ZZONKQNFHONKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S/c1-15-3-8-18(9-4-15)19-10-5-17(14-19)13-16-6-11-20(21-2)12-7-16/h3-4,6-9,11-12,17,19H,5,10,13-14H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene?
1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene has a molecular weight of 296.48 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene is sourced from PubChem (CID 155216112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).