2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

C11H11IO2 — CID 11266614

IUPAC2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)C(I)CC2
InChIInChI=1S/C11H11IO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3
InChIKeyRGHCYGNSIBOBLA-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.63
Rot. Bonds1

About 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11266614) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11266614
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Name2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)C(I)CC2
InChIInChI=1S/C11H11IO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3
InChIKeyRGHCYGNSIBOBLA-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one 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

7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
methyl 3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 22989937
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
CID 10799427
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 11266614) is 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)C(=O)C(I)CC2.
What is the InChIKey of 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RGHCYGNSIBOBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3.
What are the key properties of 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 302.11 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11266614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).