2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene

C19H24S — CID 146207633

IUPAC2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene
SMILESCCCc1ccc(C(C)C)c(-c2cccc(SC)c2)c1
InChIInChI=1S/C19H24S/c1-5-7-15-10-11-18(14(2)3)19(12-15)16-8-6-9-17(13-16)20-4/h6,8-14H,5,7H2,1-4H3
InChIKeyQCFNFIMJZUQTAI-UHFFFAOYSA-N
MW284.47 g/mol
LogP6.15
Rot. Bonds5

About 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene

2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene (PubChem CID 146207633) has the molecular formula C19H24S and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene
PubChem CID146207633
Molecular FormulaC19H24S
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Name2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene
SMILESCCCc1ccc(C(C)C)c(-c2cccc(SC)c2)c1
InChIInChI=1S/C19H24S/c1-5-7-15-10-11-18(14(2)3)19(12-15)16-8-6-9-17(13-16)20-4/h6,8-14H,5,7H2,1-4H3
InChIKeyQCFNFIMJZUQTAI-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene?
The IUPAC name of 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene (CID 146207633) is 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene?
The canonical SMILES for 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene is CCCc1ccc(C(C)C)c(-c2cccc(SC)c2)c1.
What is the InChIKey of 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene?
The InChIKey is QCFNFIMJZUQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24S/c1-5-7-15-10-11-18(14(2)3)19(12-15)16-8-6-9-17(13-16)20-4/h6,8-14H,5,7H2,1-4H3.
What are the key properties of 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene?
2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene has a molecular weight of 284.47 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)-1-propan-2-yl-4-propylbenzene is sourced from PubChem (CID 146207633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).