1-iodo-2,3-dimethyl-5-propylbenzene

C11H15I — CID 171831692

IUPAC1-iodo-2,3-dimethyl-5-propylbenzene
SMILESCCCc1cc(C)c(C)c(I)c1
InChIInChI=1S/C11H15I/c1-4-5-10-6-8(2)9(3)11(12)7-10/h6-7H,4-5H2,1-3H3
InChIKeySNSHNBHGMJGGEE-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.86
Rot. Bonds2

About 1-iodo-2,3-dimethyl-5-propylbenzene

1-iodo-2,3-dimethyl-5-propylbenzene (PubChem CID 171831692) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-iodo-2,3-dimethyl-5-propylbenzene.

Molecular Properties

Compound Name1-iodo-2,3-dimethyl-5-propylbenzene
PubChem CID171831692
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name1-iodo-2,3-dimethyl-5-propylbenzene
SMILESCCCc1cc(C)c(C)c(I)c1
InChIInChI=1S/C11H15I/c1-4-5-10-6-8(2)9(3)11(12)7-10/h6-7H,4-5H2,1-3H3
InChIKeySNSHNBHGMJGGEE-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-methyl-5-propylbenzene
CID 118269198
N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile
CID 161054115
5-butyl-1,2,3-trimethylbenzene;propan-1-ol;3-(3,4,5-trimethylphenyl)propan-1-ol
CID 158029369
4-ethyl-2-iodo-6-methylaniline
CID 131491487
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
1-chloro-4-ethylbenzene;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134216
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-iodo-5-propylbenzene
CID 90744453
(3,5-dipropylphenyl)methanol
CID 23592581
6-methyl-8-propyl-1,5-benzodioxepin-3-one
CID 170163025
5-propylbenzene-1,3-diol
CID 3083600
(2-methyl-4-propylphenyl)methanamine
CID 86664509

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,3-dimethyl-5-propylbenzene?
The IUPAC name of 1-iodo-2,3-dimethyl-5-propylbenzene (CID 171831692) is 1-iodo-2,3-dimethyl-5-propylbenzene.
What is the SMILES notation for 1-iodo-2,3-dimethyl-5-propylbenzene?
The canonical SMILES for 1-iodo-2,3-dimethyl-5-propylbenzene is CCCc1cc(C)c(C)c(I)c1.
What is the InChIKey of 1-iodo-2,3-dimethyl-5-propylbenzene?
The InChIKey is SNSHNBHGMJGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-4-5-10-6-8(2)9(3)11(12)7-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-iodo-2,3-dimethyl-5-propylbenzene?
1-iodo-2,3-dimethyl-5-propylbenzene has a molecular weight of 274.14 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3-dimethyl-5-propylbenzene is sourced from PubChem (CID 171831692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).