1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene

C23H19IO2 — CID 58780214

IUPAC1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2ccccc2c1-c1c(OC)c(I)cc2ccccc12
InChIInChI=1S/C23H19IO2/c1-14-12-15-8-4-6-10-17(15)20(22(14)25-2)21-18-11-7-5-9-16(18)13-19(24)23(21)26-3/h4-13H,1-3H3
InChIKeyZOZMIVIPMOIFJE-UHFFFAOYSA-N
MW454.31 g/mol
LogP6.59
Rot. Bonds3

About 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene

1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene (PubChem CID 58780214) has the molecular formula C23H19IO2 and a molecular weight of 454.31 g/mol. Its IUPAC name is 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene.

Molecular Properties

Compound Name1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
PubChem CID58780214
Molecular FormulaC23H19IO2
Molecular Weight454.31 g/mol
Exact Mass454.04
IUPAC Name1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2ccccc2c1-c1c(OC)c(I)cc2ccccc12
InChIInChI=1S/C23H19IO2/c1-14-12-15-8-4-6-10-17(15)20(22(14)25-2)21-18-11-7-5-9-16(18)13-19(24)23(21)26-3/h4-13H,1-3H3
InChIKeyZOZMIVIPMOIFJE-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene?
The IUPAC name of 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene (CID 58780214) is 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene.
What is the SMILES notation for 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene?
The canonical SMILES for 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene is COc1c(C)cc2ccccc2c1-c1c(OC)c(I)cc2ccccc12.
What is the InChIKey of 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene?
The InChIKey is ZOZMIVIPMOIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19IO2/c1-14-12-15-8-4-6-10-17(15)20(22(14)25-2)21-18-11-7-5-9-16(18)13-19(24)23(21)26-3/h4-13H,1-3H3.
What are the key properties of 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene?
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene has a molecular weight of 454.31 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene is sourced from PubChem (CID 58780214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).