1,4-bis(iodomethyl)naphthalene

C12H10I2 — CID 139917317

IUPAC1,4-bis(iodomethyl)naphthalene
SMILESICc1ccc(CI)c2ccccc12
InChIInChI=1S/C12H10I2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2
InChIKeyDDQQUAIWPWSSGN-UHFFFAOYSA-N
MW408.02 g/mol
LogP4.71
Rot. Bonds2

About 1,4-bis(iodomethyl)naphthalene

1,4-bis(iodomethyl)naphthalene (PubChem CID 139917317) has the molecular formula C12H10I2 and a molecular weight of 408.02 g/mol. Its IUPAC name is 1,4-bis(iodomethyl)naphthalene.

Molecular Properties

Compound Name1,4-bis(iodomethyl)naphthalene
PubChem CID139917317
Molecular FormulaC12H10I2
Molecular Weight408.02 g/mol
Exact Mass407.89
IUPAC Name1,4-bis(iodomethyl)naphthalene
SMILESICc1ccc(CI)c2ccccc12
InChIInChI=1S/C12H10I2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2
InChIKeyDDQQUAIWPWSSGN-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.02
LogP ≤ 54.71
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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Related Compounds

1-ethenyl-5-(iodomethyl)naphthalene
CID 139944505
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
CID 142398136
CID 142398136
CID 134943055
CID 134943055
1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
CID 172751117
1,2-bis(iodomethyl)benzene;1,3-bis(iodomethyl)benzene
CID 67650229
1,3-bis(iodomethyl)-2-methylbenzene
CID 67628819
1-(iodomethyl)-2-methyl-3-[(2-methylphenyl)methyl]benzene
CID 163476311
8-(iodomethyl)-5,7-dimethylbenzo[b]carbazole
CID 163846059
1-ethyl-4-(1H-inden-2-yl)naphthalene
CID 22347915
ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
CID 118354681

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(iodomethyl)naphthalene?
The IUPAC name of 1,4-bis(iodomethyl)naphthalene (CID 139917317) is 1,4-bis(iodomethyl)naphthalene.
What is the SMILES notation for 1,4-bis(iodomethyl)naphthalene?
The canonical SMILES for 1,4-bis(iodomethyl)naphthalene is ICc1ccc(CI)c2ccccc12.
What is the InChIKey of 1,4-bis(iodomethyl)naphthalene?
The InChIKey is DDQQUAIWPWSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7-8H2.
What are the key properties of 1,4-bis(iodomethyl)naphthalene?
1,4-bis(iodomethyl)naphthalene has a molecular weight of 408.02 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(iodomethyl)naphthalene is sourced from PubChem (CID 139917317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).