[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium

C18H15ClIO+ — CID 71814531

IUPAC[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc3cc(CCl)ccc3c2)cc1
InChIInChI=1S/C18H15ClIO/c1-21-18-8-6-16(7-9-18)20-17-5-4-14-10-13(12-19)2-3-15(14)11-17/h2-11H,12H2,1H3/q+1
InChIKeyDNEWNCKOCVILGB-UHFFFAOYSA-N
MW409.67 g/mol
LogP1.72
Rot. Bonds4

About [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium

[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium (PubChem CID 71814531) has the molecular formula C18H15ClIO+ and a molecular weight of 409.67 g/mol. Its IUPAC name is [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium.

Molecular Properties

Compound Name[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
PubChem CID71814531
Molecular FormulaC18H15ClIO+
Molecular Weight409.67 g/mol
Exact Mass408.99
IUPAC Name[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc3cc(CCl)ccc3c2)cc1
InChIInChI=1S/C18H15ClIO/c1-21-18-8-6-16(7-9-18)20-17-5-4-14-10-13(12-19)2-3-15(14)11-17/h2-11H,12H2,1H3/q+1
InChIKeyDNEWNCKOCVILGB-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 51.72
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

bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
bis[4-methoxy-3-[(4-methoxyphenyl)methyl]phenyl]iodanium bromide
CID 19990827
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
4-(chloromethyl)-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 55222249
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
2,7-bis(chloromethyl)phenanthrene
CID 139627451
2-(chloromethyl)-6-iodonaphthalene
CID 124706982
trichloro-[(4-methoxyphenyl)methyl]silane
CID 11482253

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium?
The IUPAC name of [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium (CID 71814531) is [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium.
What is the SMILES notation for [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium?
The canonical SMILES for [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium is COc1ccc([I+]c2ccc3cc(CCl)ccc3c2)cc1.
What is the InChIKey of [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium?
The InChIKey is DNEWNCKOCVILGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClIO/c1-21-18-8-6-16(7-9-18)20-17-5-4-14-10-13(12-19)2-3-15(14)11-17/h2-11H,12H2,1H3/q+1.
What are the key properties of [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium?
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium has a molecular weight of 409.67 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium is sourced from PubChem (CID 71814531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).