1-ethenyl-5-(iodomethyl)naphthalene

C13H11I — CID 139944505

IUPAC1-ethenyl-5-(iodomethyl)naphthalene
SMILESC=Cc1cccc2c(CI)cccc12
InChIInChI=1S/C13H11I/c1-2-10-5-3-8-13-11(9-14)6-4-7-12(10)13/h2-8H,1,9H2
InChIKeyBXYADQXQWNYYEJ-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.42
Rot. Bonds2

About 1-ethenyl-5-(iodomethyl)naphthalene

1-ethenyl-5-(iodomethyl)naphthalene (PubChem CID 139944505) has the molecular formula C13H11I and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-ethenyl-5-(iodomethyl)naphthalene.

Molecular Properties

Compound Name1-ethenyl-5-(iodomethyl)naphthalene
PubChem CID139944505
Molecular FormulaC13H11I
Molecular Weight294.14 g/mol
Exact Mass293.99
IUPAC Name1-ethenyl-5-(iodomethyl)naphthalene
SMILESC=Cc1cccc2c(CI)cccc12
InChIInChI=1S/C13H11I/c1-2-10-5-3-8-13-11(9-14)6-4-7-12(10)13/h2-8H,1,9H2
InChIKeyBXYADQXQWNYYEJ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-(iodomethyl)naphthalene?
The IUPAC name of 1-ethenyl-5-(iodomethyl)naphthalene (CID 139944505) is 1-ethenyl-5-(iodomethyl)naphthalene.
What is the SMILES notation for 1-ethenyl-5-(iodomethyl)naphthalene?
The canonical SMILES for 1-ethenyl-5-(iodomethyl)naphthalene is C=Cc1cccc2c(CI)cccc12.
What is the InChIKey of 1-ethenyl-5-(iodomethyl)naphthalene?
The InChIKey is BXYADQXQWNYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11I/c1-2-10-5-3-8-13-11(9-14)6-4-7-12(10)13/h2-8H,1,9H2.
What are the key properties of 1-ethenyl-5-(iodomethyl)naphthalene?
1-ethenyl-5-(iodomethyl)naphthalene has a molecular weight of 294.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-(iodomethyl)naphthalene is sourced from PubChem (CID 139944505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).