1,5-diiodo-4,8-dimethoxynaphthalene

C12H10I2O2 — CID 11236006

IUPAC1,5-diiodo-4,8-dimethoxynaphthalene
SMILESCOc1ccc(I)c2c(OC)ccc(I)c12
InChIInChI=1S/C12H10I2O2/c1-15-9-5-3-8(14)12-10(16-2)6-4-7(13)11(9)12/h3-6H,1-2H3
InChIKeyVXACRFIGIQXVIV-UHFFFAOYSA-N
MW440.02 g/mol
LogP4.07
Rot. Bonds2

About 1,5-diiodo-4,8-dimethoxynaphthalene

1,5-diiodo-4,8-dimethoxynaphthalene (PubChem CID 11236006) has the molecular formula C12H10I2O2 and a molecular weight of 440.02 g/mol. Its IUPAC name is 1,5-diiodo-4,8-dimethoxynaphthalene.

Molecular Properties

Compound Name1,5-diiodo-4,8-dimethoxynaphthalene
PubChem CID11236006
Molecular FormulaC12H10I2O2
Molecular Weight440.02 g/mol
Exact Mass439.88
IUPAC Name1,5-diiodo-4,8-dimethoxynaphthalene
SMILESCOc1ccc(I)c2c(OC)ccc(I)c12
InChIInChI=1S/C12H10I2O2/c1-15-9-5-3-8(14)12-10(16-2)6-4-7(13)11(9)12/h3-6H,1-2H3
InChIKeyVXACRFIGIQXVIV-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.02
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,5,8-tetramethoxynaphthalene
CID 10220551
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
CID 14778921
1,4-diiodo-2-methoxybenzene
CID 23154690
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
3-iodo-2,6-dimethoxy-N,N-dimethylaniline
CID 174519773
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
7-iodo-4-methoxy-1-benzofuran
CID 166610141
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770

Frequently Asked Questions

What is the IUPAC name of 1,5-diiodo-4,8-dimethoxynaphthalene?
The IUPAC name of 1,5-diiodo-4,8-dimethoxynaphthalene (CID 11236006) is 1,5-diiodo-4,8-dimethoxynaphthalene.
What is the SMILES notation for 1,5-diiodo-4,8-dimethoxynaphthalene?
The canonical SMILES for 1,5-diiodo-4,8-dimethoxynaphthalene is COc1ccc(I)c2c(OC)ccc(I)c12.
What is the InChIKey of 1,5-diiodo-4,8-dimethoxynaphthalene?
The InChIKey is VXACRFIGIQXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I2O2/c1-15-9-5-3-8(14)12-10(16-2)6-4-7(13)11(9)12/h3-6H,1-2H3.
What are the key properties of 1,5-diiodo-4,8-dimethoxynaphthalene?
1,5-diiodo-4,8-dimethoxynaphthalene has a molecular weight of 440.02 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodo-4,8-dimethoxynaphthalene is sourced from PubChem (CID 11236006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).