[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium

C18H16IO+ — CID 139095393

IUPAC[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium
SMILESC[C@@H](O)c1c([I+]c2ccccc2)ccc2ccccc12
InChIInChI=1S/C18H16IO/c1-13(20)18-16-10-6-5-7-14(16)11-12-17(18)19-15-8-3-2-4-9-15/h2-13,20H,1H3/q+1/t13-/m1/s1
InChIKeyTZVRESZZMZLWMG-CYBMUJFWSA-N
MW375.23 g/mol
LogP1.02
Rot. Bonds3

About [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium

[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium (PubChem CID 139095393) has the molecular formula C18H16IO+ and a molecular weight of 375.23 g/mol. Its IUPAC name is [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium.

Molecular Properties

Compound Name[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium
PubChem CID139095393
Molecular FormulaC18H16IO+
Molecular Weight375.23 g/mol
Exact Mass375.02
IUPAC Name[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium
SMILESC[C@@H](O)c1c([I+]c2ccccc2)ccc2ccccc12
InChIInChI=1S/C18H16IO/c1-13(20)18-16-10-6-5-7-14(16)11-12-17(18)19-15-8-3-2-4-9-15/h2-13,20H,1H3/q+1/t13-/m1/s1
InChIKeyTZVRESZZMZLWMG-CYBMUJFWSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol;titanium(2+);dichloride
CID 87493937
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
CID 68548317
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
[1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-phenyliodanium tetrafluoroborate
CID 10865132
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
CID 139712413

Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium?
The IUPAC name of [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium (CID 139095393) is [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium.
What is the SMILES notation for [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium?
The canonical SMILES for [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium is C[C@@H](O)c1c([I+]c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium?
The InChIKey is TZVRESZZMZLWMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16IO/c1-13(20)18-16-10-6-5-7-14(16)11-12-17(18)19-15-8-3-2-4-9-15/h2-13,20H,1H3/q+1/t13-/m1/s1.
What are the key properties of [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium?
[1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium has a molecular weight of 375.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-hydroxyethyl]naphthalen-2-yl]-phenyliodanium is sourced from PubChem (CID 139095393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).