7-iodo-1,6-dimethoxynaphthalene

C12H11IO2 — CID 14004783

IUPAC7-iodo-1,6-dimethoxynaphthalene
SMILESCOc1cc2cccc(OC)c2cc1I
InChIInChI=1S/C12H11IO2/c1-14-11-5-3-4-8-6-12(15-2)10(13)7-9(8)11/h3-7H,1-2H3
InChIKeyUGUUWVMEWFTEON-UHFFFAOYSA-N
MW314.12 g/mol
LogP3.46
Rot. Bonds2

About 7-iodo-1,6-dimethoxynaphthalene

7-iodo-1,6-dimethoxynaphthalene (PubChem CID 14004783) has the molecular formula C12H11IO2 and a molecular weight of 314.12 g/mol. Its IUPAC name is 7-iodo-1,6-dimethoxynaphthalene.

Molecular Properties

Compound Name7-iodo-1,6-dimethoxynaphthalene
PubChem CID14004783
Molecular FormulaC12H11IO2
Molecular Weight314.12 g/mol
Exact Mass313.98
IUPAC Name7-iodo-1,6-dimethoxynaphthalene
SMILESCOc1cc2cccc(OC)c2cc1I
InChIInChI=1S/C12H11IO2/c1-14-11-5-3-4-8-6-12(15-2)10(13)7-9(8)11/h3-7H,1-2H3
InChIKeyUGUUWVMEWFTEON-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-1,6-dimethoxynaphthalene 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

5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
7-methoxy-5,12-dihydrotetracene
CID 134205558
bis(3,8-dimethoxynaphthalen-2-yl)-phenylmethanol
CID 70908148
1,2,3,8-tetramethoxynaphthalene
CID 91328449
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
3-chloro-8-methoxyisoquinoline
CID 14589577
8-iodo-3-methoxy-1H-quinolin-2-one
CID 68636812
5-methoxynaphthalene-2-carbonitrile
CID 22243517
1-methoxyanthracen-9-amine
CID 23131408
4-methoxy-2-benzofuran
CID 21318708

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,6-dimethoxynaphthalene?
The IUPAC name of 7-iodo-1,6-dimethoxynaphthalene (CID 14004783) is 7-iodo-1,6-dimethoxynaphthalene.
What is the SMILES notation for 7-iodo-1,6-dimethoxynaphthalene?
The canonical SMILES for 7-iodo-1,6-dimethoxynaphthalene is COc1cc2cccc(OC)c2cc1I.
What is the InChIKey of 7-iodo-1,6-dimethoxynaphthalene?
The InChIKey is UGUUWVMEWFTEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IO2/c1-14-11-5-3-4-8-6-12(15-2)10(13)7-9(8)11/h3-7H,1-2H3.
What are the key properties of 7-iodo-1,6-dimethoxynaphthalene?
7-iodo-1,6-dimethoxynaphthalene has a molecular weight of 314.12 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,6-dimethoxynaphthalene is sourced from PubChem (CID 14004783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).