(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite

C17H11Br2IO — CID 89468148

IUPAC(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite
SMILESBrc1ccc2c(Br)c(OI)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C17H11Br2IO/c18-14-6-7-15-12(10-14)9-13(17(21-20)16(15)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyGGSOEZNSAIYEDJ-UHFFFAOYSA-N
MW517.99 g/mol
LogP6.68
Rot. Bonds3

About (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite

(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite (PubChem CID 89468148) has the molecular formula C17H11Br2IO and a molecular weight of 517.99 g/mol. Its IUPAC name is (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite.

Molecular Properties

Compound Name(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite
PubChem CID89468148
Molecular FormulaC17H11Br2IO
Molecular Weight517.99 g/mol
Exact Mass515.82
IUPAC Name(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite
SMILESBrc1ccc2c(Br)c(OI)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C17H11Br2IO/c18-14-6-7-15-12(10-14)9-13(17(21-20)16(15)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyGGSOEZNSAIYEDJ-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.99
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963
1-benzyl-4-bromo-2-(bromomethyl)benzene
CID 54290148
1-benzyl-6-bromonaphthalen-2-ol
CID 132564991
3-benzyl-5-bromo-2H-indazole
CID 66915538
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
2-[3,6-dibenzyl-1-bromo-7-(2-bromoethoxy)naphthalen-2-yl]oxyacetic acid
CID 142679062
methyl 2-(3,6-dibenzyl-1-bromo-7-methoxynaphthalen-2-yl)oxyacetate
CID 142679051
2-bromo-6-phenylmethoxynaphthalene
CID 640595
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
CID 66875668
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510
10-benzylphenanthrene-2-carbonitrile
CID 162401077

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite?
The IUPAC name of (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite (CID 89468148) is (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite.
What is the SMILES notation for (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite?
The canonical SMILES for (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite is Brc1ccc2c(Br)c(OI)c(Cc3ccccc3)cc2c1.
What is the InChIKey of (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite?
The InChIKey is GGSOEZNSAIYEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2IO/c18-14-6-7-15-12(10-14)9-13(17(21-20)16(15)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite?
(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite has a molecular weight of 517.99 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite is sourced from PubChem (CID 89468148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).