4-methylnaphthalene-1-carboxylate;thallium(1+)

C12H9O2Tl — CID 22604806

IUPAC4-methylnaphthalene-1-carboxylate;thallium(1+)
SMILESCc1ccc(C(=O)[O-])c2ccccc12.[Tl+]
InChIInChI=1S/C12H10O2.Tl/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;/h2-7H,1H3,(H,13,14);/q;+1/p-1
InChIKeyRAYUUMAIFVIHNL-UHFFFAOYSA-M
MW389.59 g/mol
LogP1.13
Rot. Bonds1

About 4-methylnaphthalene-1-carboxylate;thallium(1+)

4-methylnaphthalene-1-carboxylate;thallium(1+) (PubChem CID 22604806) has the molecular formula C12H9O2Tl and a molecular weight of 389.59 g/mol. Its IUPAC name is 4-methylnaphthalene-1-carboxylate;thallium(1+).

Molecular Properties

Compound Name4-methylnaphthalene-1-carboxylate;thallium(1+)
PubChem CID22604806
Molecular FormulaC12H9O2Tl
Molecular Weight389.59 g/mol
Exact Mass390.03
IUPAC Name4-methylnaphthalene-1-carboxylate;thallium(1+)
SMILESCc1ccc(C(=O)[O-])c2ccccc12.[Tl+]
InChIInChI=1S/C12H10O2.Tl/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;/h2-7H,1H3,(H,13,14);/q;+1/p-1
InChIKeyRAYUUMAIFVIHNL-UHFFFAOYSA-M
XLogP1.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(dimethylamino)naphthalene-1-carboxylate
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1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
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(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
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chromium(3+);formaldehyde;tris(2-methylbenzoate)
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Frequently Asked Questions

What is the IUPAC name of 4-methylnaphthalene-1-carboxylate;thallium(1+)?
The IUPAC name of 4-methylnaphthalene-1-carboxylate;thallium(1+) (CID 22604806) is 4-methylnaphthalene-1-carboxylate;thallium(1+).
What is the SMILES notation for 4-methylnaphthalene-1-carboxylate;thallium(1+)?
The canonical SMILES for 4-methylnaphthalene-1-carboxylate;thallium(1+) is Cc1ccc(C(=O)[O-])c2ccccc12.[Tl+].
What is the InChIKey of 4-methylnaphthalene-1-carboxylate;thallium(1+)?
The InChIKey is RAYUUMAIFVIHNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.Tl/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;/h2-7H,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of 4-methylnaphthalene-1-carboxylate;thallium(1+)?
4-methylnaphthalene-1-carboxylate;thallium(1+) has a molecular weight of 389.59 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnaphthalene-1-carboxylate;thallium(1+) is sourced from PubChem (CID 22604806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).