2-[iodo(naphthalen-2-yl)methoxy]naphthalene

C21H15IO — CID 57251053

IUPAC2-[iodo(naphthalen-2-yl)methoxy]naphthalene
SMILESIC(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15IO/c22-21(19-10-9-15-5-1-3-7-17(15)13-19)23-20-12-11-16-6-2-4-8-18(16)14-20/h1-14,21H
InChIKeyMIZHWJYPJLFKMW-UHFFFAOYSA-N
MW410.25 g/mol
LogP6.51
Rot. Bonds3

About 2-[iodo(naphthalen-2-yl)methoxy]naphthalene

2-[iodo(naphthalen-2-yl)methoxy]naphthalene (PubChem CID 57251053) has the molecular formula C21H15IO and a molecular weight of 410.25 g/mol. Its IUPAC name is 2-[iodo(naphthalen-2-yl)methoxy]naphthalene.

Molecular Properties

Compound Name2-[iodo(naphthalen-2-yl)methoxy]naphthalene
PubChem CID57251053
Molecular FormulaC21H15IO
Molecular Weight410.25 g/mol
Exact Mass410.02
IUPAC Name2-[iodo(naphthalen-2-yl)methoxy]naphthalene
SMILESIC(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H15IO/c22-21(19-10-9-15-5-1-3-7-17(15)13-19)23-20-12-11-16-6-2-4-8-18(16)14-20/h1-14,21H
InChIKeyMIZHWJYPJLFKMW-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.25
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

amino(naphthalen-2-yl)methanethiol
CID 116939563
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
ethane;2-propan-2-ylnaphthalene
CID 142226111
naphthalen-2-ylmethanediol
CID 22496827
2-naphthalen-2-yloxypropane-1,1-diol
CID 91391237
2-propan-2-ylpentacene
CID 153380535
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
dinaphthalen-2-ylmethyl carbamate
CID 173097882
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of 2-[iodo(naphthalen-2-yl)methoxy]naphthalene?
The IUPAC name of 2-[iodo(naphthalen-2-yl)methoxy]naphthalene (CID 57251053) is 2-[iodo(naphthalen-2-yl)methoxy]naphthalene.
What is the SMILES notation for 2-[iodo(naphthalen-2-yl)methoxy]naphthalene?
The canonical SMILES for 2-[iodo(naphthalen-2-yl)methoxy]naphthalene is IC(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[iodo(naphthalen-2-yl)methoxy]naphthalene?
The InChIKey is MIZHWJYPJLFKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15IO/c22-21(19-10-9-15-5-1-3-7-17(15)13-19)23-20-12-11-16-6-2-4-8-18(16)14-20/h1-14,21H.
What are the key properties of 2-[iodo(naphthalen-2-yl)methoxy]naphthalene?
2-[iodo(naphthalen-2-yl)methoxy]naphthalene has a molecular weight of 410.25 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(naphthalen-2-yl)methoxy]naphthalene is sourced from PubChem (CID 57251053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).