1-iodo-2,6-dimethylanthracene

C16H13I — CID 137452245

IUPAC1-iodo-2,6-dimethylanthracene
SMILESCc1ccc2cc3c(I)c(C)ccc3cc2c1
InChIInChI=1S/C16H13I/c1-10-3-5-12-9-15-13(8-14(12)7-10)6-4-11(2)16(15)17/h3-9H,1-2H3
InChIKeyDPRNESAJPIYYRB-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.21
Rot. Bonds

About 1-iodo-2,6-dimethylanthracene

1-iodo-2,6-dimethylanthracene (PubChem CID 137452245) has the molecular formula C16H13I and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-iodo-2,6-dimethylanthracene.

Molecular Properties

Compound Name1-iodo-2,6-dimethylanthracene
PubChem CID137452245
Molecular FormulaC16H13I
Molecular Weight332.18 g/mol
Exact Mass332.01
IUPAC Name1-iodo-2,6-dimethylanthracene
SMILESCc1ccc2cc3c(I)c(C)ccc3cc2c1
InChIInChI=1S/C16H13I/c1-10-3-5-12-9-15-13(8-14(12)7-10)6-4-11(2)16(15)17/h3-9H,1-2H3
InChIKeyDPRNESAJPIYYRB-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.18
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethylpentacene
CID 11460950
1,6-dimethylanthracene;ethane
CID 142009331
2,6-dimethylnaphthalene;propane
CID 142191183
9-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene
CID 177251791
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,7-dimethylphenanthrene;ethane
CID 91503011
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
7-methyl-1-propan-2-ylanthracene
CID 144739282
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,6-dimethylanthracene?
The IUPAC name of 1-iodo-2,6-dimethylanthracene (CID 137452245) is 1-iodo-2,6-dimethylanthracene.
What is the SMILES notation for 1-iodo-2,6-dimethylanthracene?
The canonical SMILES for 1-iodo-2,6-dimethylanthracene is Cc1ccc2cc3c(I)c(C)ccc3cc2c1.
What is the InChIKey of 1-iodo-2,6-dimethylanthracene?
The InChIKey is DPRNESAJPIYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13I/c1-10-3-5-12-9-15-13(8-14(12)7-10)6-4-11(2)16(15)17/h3-9H,1-2H3.
What are the key properties of 1-iodo-2,6-dimethylanthracene?
1-iodo-2,6-dimethylanthracene has a molecular weight of 332.18 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,6-dimethylanthracene is sourced from PubChem (CID 137452245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).