1-iodo-3-methyl-5-propylbenzene

C10H13I — CID 118269198

IUPAC1-iodo-3-methyl-5-propylbenzene
SMILESCCCc1cc(C)cc(I)c1
InChIInChI=1S/C10H13I/c1-3-4-9-5-8(2)6-10(11)7-9/h5-7H,3-4H2,1-2H3
InChIKeyZSLXLRNHGFDCDH-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.55
Rot. Bonds2

About 1-iodo-3-methyl-5-propylbenzene

1-iodo-3-methyl-5-propylbenzene (PubChem CID 118269198) has the molecular formula C10H13I and a molecular weight of 260.12 g/mol. Its IUPAC name is 1-iodo-3-methyl-5-propylbenzene.

Molecular Properties

Compound Name1-iodo-3-methyl-5-propylbenzene
PubChem CID118269198
Molecular FormulaC10H13I
Molecular Weight260.12 g/mol
Exact Mass260.01
IUPAC Name1-iodo-3-methyl-5-propylbenzene
SMILESCCCc1cc(C)cc(I)c1
InChIInChI=1S/C10H13I/c1-3-4-9-5-8(2)6-10(11)7-9/h5-7H,3-4H2,1-2H3
InChIKeyZSLXLRNHGFDCDH-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyl-5-propylbenzene?
The IUPAC name of 1-iodo-3-methyl-5-propylbenzene (CID 118269198) is 1-iodo-3-methyl-5-propylbenzene.
What is the SMILES notation for 1-iodo-3-methyl-5-propylbenzene?
The canonical SMILES for 1-iodo-3-methyl-5-propylbenzene is CCCc1cc(C)cc(I)c1.
What is the InChIKey of 1-iodo-3-methyl-5-propylbenzene?
The InChIKey is ZSLXLRNHGFDCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I/c1-3-4-9-5-8(2)6-10(11)7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-iodo-3-methyl-5-propylbenzene?
1-iodo-3-methyl-5-propylbenzene has a molecular weight of 260.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyl-5-propylbenzene is sourced from PubChem (CID 118269198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).