1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide

C16H20Br2O2Te — CID 88746382

IUPAC1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
SMILESBr.Br.COc1ccc(C[Te]Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18O2Te.2BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;;/h3-10H,11-12H2,1-2H3;2*1H
InChIKeyYZZSUZCPIRXOGJ-UHFFFAOYSA-N
MW531.74 g/mol
LogP4.26
Rot. Bonds6

About 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide

1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide (PubChem CID 88746382) has the molecular formula C16H20Br2O2Te and a molecular weight of 531.74 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide.

Molecular Properties

Compound Name1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
PubChem CID88746382
Molecular FormulaC16H20Br2O2Te
Molecular Weight531.74 g/mol
Exact Mass531.89
IUPAC Name1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
SMILESBr.Br.COc1ccc(C[Te]Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18O2Te.2BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;;/h3-10H,11-12H2,1-2H3;2*1H
InChIKeyYZZSUZCPIRXOGJ-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.74
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(phenylmethoxymethyltellanylmethyl)benzene
CID 58884213
ethane;1-methoxy-4-propylbenzene
CID 142085762
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide?
The IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide (CID 88746382) is 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide.
What is the SMILES notation for 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide?
The canonical SMILES for 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide is Br.Br.COc1ccc(C[Te]Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide?
The InChIKey is YZZSUZCPIRXOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Te.2BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;;/h3-10H,11-12H2,1-2H3;2*1H.
What are the key properties of 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide?
1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide has a molecular weight of 531.74 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide is sourced from PubChem (CID 88746382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).