2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene

C20H19Br — CID 63440169

IUPAC2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
SMILESCc1cc(C)c(C(Br)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H19Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-12,20H,1-3H3
InChIKeyFKFOMQMGDSUQDL-UHFFFAOYSA-N
MW339.28 g/mol
LogP6.25
Rot. Bonds2

About 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene

2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene (PubChem CID 63440169) has the molecular formula C20H19Br and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
PubChem CID63440169
Molecular FormulaC20H19Br
Molecular Weight339.28 g/mol
Exact Mass338.07
IUPAC Name2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
SMILESCc1cc(C)c(C(Br)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H19Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-12,20H,1-3H3
InChIKeyFKFOMQMGDSUQDL-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.28
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene?
The IUPAC name of 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene (CID 63440169) is 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene?
The canonical SMILES for 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene is Cc1cc(C)c(C(Br)c2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene?
The InChIKey is FKFOMQMGDSUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-12,20H,1-3H3.
What are the key properties of 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene?
2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene has a molecular weight of 339.28 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 63440169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).