2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene

C18H15IO — CID 11603199

IUPAC2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
SMILESCOc1ccc2c(-c3ccccc3)c(I)c(C)cc2c1
InChIInChI=1S/C18H15IO/c1-12-10-14-11-15(20-2)8-9-16(14)17(18(12)19)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyYNSCHJJIWDDBHO-UHFFFAOYSA-N
MW374.22 g/mol
LogP5.43
Rot. Bonds2

About 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene

2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene (PubChem CID 11603199) has the molecular formula C18H15IO and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene.

Molecular Properties

Compound Name2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
PubChem CID11603199
Molecular FormulaC18H15IO
Molecular Weight374.22 g/mol
Exact Mass374.02
IUPAC Name2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
SMILESCOc1ccc2c(-c3ccccc3)c(I)c(C)cc2c1
InChIInChI=1S/C18H15IO/c1-12-10-14-11-15(20-2)8-9-16(14)17(18(12)19)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyYNSCHJJIWDDBHO-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.22
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene?
The IUPAC name of 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene (CID 11603199) is 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene.
What is the SMILES notation for 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene?
The canonical SMILES for 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene is COc1ccc2c(-c3ccccc3)c(I)c(C)cc2c1.
What is the InChIKey of 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene?
The InChIKey is YNSCHJJIWDDBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IO/c1-12-10-14-11-15(20-2)8-9-16(14)17(18(12)19)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene?
2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene has a molecular weight of 374.22 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene is sourced from PubChem (CID 11603199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).