(1S)-1-iodo-1-methyl-2H-naphthalene

C11H11I — CID 70994491

IUPAC(1S)-1-iodo-1-methyl-2H-naphthalene
SMILESC[C@]1(I)CC=Cc2ccccc21
InChIInChI=1S/C11H11I/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/t11-/m0/s1
InChIKeyMJTDCTBPAZLUOW-NSHDSACASA-N
MW270.11 g/mol
LogP3.75
Rot. Bonds

About (1S)-1-iodo-1-methyl-2H-naphthalene

(1S)-1-iodo-1-methyl-2H-naphthalene (PubChem CID 70994491) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is (1S)-1-iodo-1-methyl-2H-naphthalene.

Molecular Properties

Compound Name(1S)-1-iodo-1-methyl-2H-naphthalene
PubChem CID70994491
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name(1S)-1-iodo-1-methyl-2H-naphthalene
SMILESC[C@]1(I)CC=Cc2ccccc21
InChIInChI=1S/C11H11I/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/t11-/m0/s1
InChIKeyMJTDCTBPAZLUOW-NSHDSACASA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.75
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 (1S)-1-iodo-1-methyl-2H-naphthalene?
The IUPAC name of (1S)-1-iodo-1-methyl-2H-naphthalene (CID 70994491) is (1S)-1-iodo-1-methyl-2H-naphthalene.
What is the SMILES notation for (1S)-1-iodo-1-methyl-2H-naphthalene?
The canonical SMILES for (1S)-1-iodo-1-methyl-2H-naphthalene is C[C@]1(I)CC=Cc2ccccc21.
What is the InChIKey of (1S)-1-iodo-1-methyl-2H-naphthalene?
The InChIKey is MJTDCTBPAZLUOW-NSHDSACASA-N. The full InChI is InChI=1S/C11H11I/c1-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-iodo-1-methyl-2H-naphthalene?
(1S)-1-iodo-1-methyl-2H-naphthalene has a molecular weight of 270.11 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-iodo-1-methyl-2H-naphthalene is sourced from PubChem (CID 70994491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).