1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene

C15H21ClOS — CID 101495794

IUPAC1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
SMILESCCCC(CCC)=C(Cl)S(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21ClOS/c1-4-6-13(7-5-2)15(16)18(17)14-10-8-12(3)9-11-14/h8-11H,4-7H2,1-3H3
InChIKeyWSQHZGLDVGSTQW-UHFFFAOYSA-N
MW284.85 g/mol
LogP5.15
Rot. Bonds6

About 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene

1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene (PubChem CID 101495794) has the molecular formula C15H21ClOS and a molecular weight of 284.85 g/mol. Its IUPAC name is 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
PubChem CID101495794
Molecular FormulaC15H21ClOS
Molecular Weight284.85 g/mol
Exact Mass284.10
IUPAC Name1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
SMILESCCCC(CCC)=C(Cl)S(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21ClOS/c1-4-6-13(7-5-2)15(16)18(17)14-10-8-12(3)9-11-14/h8-11H,4-7H2,1-3H3
InChIKeyWSQHZGLDVGSTQW-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene?
The IUPAC name of 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene (CID 101495794) is 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene?
The canonical SMILES for 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene is CCCC(CCC)=C(Cl)S(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene?
The InChIKey is WSQHZGLDVGSTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClOS/c1-4-6-13(7-5-2)15(16)18(17)14-10-8-12(3)9-11-14/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene?
1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene has a molecular weight of 284.85 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene is sourced from PubChem (CID 101495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).