(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite

C10H10BrIO — CID 118394441

IUPAC(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite
SMILESBrc1ccc2c(c1)CCCC2OI
InChIInChI=1S/C10H10BrIO/c11-8-4-5-9-7(6-8)2-1-3-10(9)13-12/h4-6,10H,1-3H2
InChIKeyJRCASFBBROVJQF-UHFFFAOYSA-N
MW353.00 g/mol
LogP4.19
Rot. Bonds1

About (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite

(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite (PubChem CID 118394441) has the molecular formula C10H10BrIO and a molecular weight of 353.00 g/mol. Its IUPAC name is (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite.

Molecular Properties

Compound Name(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite
PubChem CID118394441
Molecular FormulaC10H10BrIO
Molecular Weight353.00 g/mol
Exact Mass351.90
IUPAC Name(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite
SMILESBrc1ccc2c(c1)CCCC2OI
InChIInChI=1S/C10H10BrIO/c11-8-4-5-9-7(6-8)2-1-3-10(9)13-12/h4-6,10H,1-3H2
InChIKeyJRCASFBBROVJQF-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.00
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite?
The IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite (CID 118394441) is (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite.
What is the SMILES notation for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite?
The canonical SMILES for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite is Brc1ccc2c(c1)CCCC2OI.
What is the InChIKey of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite?
The InChIKey is JRCASFBBROVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIO/c11-8-4-5-9-7(6-8)2-1-3-10(9)13-12/h4-6,10H,1-3H2.
What are the key properties of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite?
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite has a molecular weight of 353.00 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl) hypoiodite is sourced from PubChem (CID 118394441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).