(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite

C13H15IO2 — CID 143066066

IUPAC(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite
SMILESCc1cc2c(cc1OI)C(C)(C)CCC2=O
InChIInChI=1S/C13H15IO2/c1-8-6-9-10(7-12(8)16-14)13(2,3)5-4-11(9)15/h6-7H,4-5H2,1-3H3
InChIKeySOWDHRBOLZLCTD-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.98
Rot. Bonds1

About (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite

(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite (PubChem CID 143066066) has the molecular formula C13H15IO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite.

Molecular Properties

Compound Name(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite
PubChem CID143066066
Molecular FormulaC13H15IO2
Molecular Weight330.17 g/mol
Exact Mass330.01
IUPAC Name(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite
SMILESCc1cc2c(cc1OI)C(C)(C)CCC2=O
InChIInChI=1S/C13H15IO2/c1-8-6-9-10(7-12(8)16-14)13(2,3)5-4-11(9)15/h6-7H,4-5H2,1-3H3
InChIKeySOWDHRBOLZLCTD-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-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

ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
CID 142087326
4,4-dimethyl-7-sulfanyl-2,3-dihydronaphthalen-1-one
CID 19034432
7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 118281442
3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
CID 165353647
N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide
CID 22373951
4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione
CID 162851679
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796
2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 115483109
[3-oxo-2-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]cyclohexen-1-yl] hypoiodite
CID 147344296
methyl 4-(5,5-dimethyl-8-oxo-6,7-dihydroanthracen-2-yl)benzoate
CID 21217157

Frequently Asked Questions

What is the IUPAC name of (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite?
The IUPAC name of (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite (CID 143066066) is (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite.
What is the SMILES notation for (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite?
The canonical SMILES for (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite is Cc1cc2c(cc1OI)C(C)(C)CCC2=O.
What is the InChIKey of (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite?
The InChIKey is SOWDHRBOLZLCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO2/c1-8-6-9-10(7-12(8)16-14)13(2,3)5-4-11(9)15/h6-7H,4-5H2,1-3H3.
What are the key properties of (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite?
(3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite has a molecular weight of 330.17 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,8,8-trimethyl-5-oxo-6,7-dihydronaphthalen-2-yl) hypoiodite is sourced from PubChem (CID 143066066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).