5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole

C15H12Cl2N4O — CID 154788580

IUPAC5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1Cc1nn[nH]n1
InChIInChI=1S/C15H12Cl2N4O/c1-22-14-5-2-9(12-8-11(16)3-4-13(12)17)6-10(14)7-15-18-20-21-19-15/h2-6,8H,7H2,1H3,(H,18,19,20,21)
InChIKeyCDMRLQLBXFLIRL-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.77
Rot. Bonds4

About 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole

5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole (PubChem CID 154788580) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole
PubChem CID154788580
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1Cc1nn[nH]n1
InChIInChI=1S/C15H12Cl2N4O/c1-22-14-5-2-9(12-8-11(16)3-4-13(12)17)6-10(14)7-15-18-20-21-19-15/h2-6,8H,7H2,1H3,(H,18,19,20,21)
InChIKeyCDMRLQLBXFLIRL-UHFFFAOYSA-N
XLogP3.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
5-[[3-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)pyrazol-4-yl]methyl]-2H-tetrazole
CID 25152876
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene
CID 134625631
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
[5-[(5-chloro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 82481641
5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole (CID 154788580) is 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole is COc1ccc(-c2cc(Cl)ccc2Cl)cc1Cc1nn[nH]n1.
What is the InChIKey of 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole?
The InChIKey is CDMRLQLBXFLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-22-14-5-2-9(12-8-11(16)3-4-13(12)17)6-10(14)7-15-18-20-21-19-15/h2-6,8H,7H2,1H3,(H,18,19,20,21).
What are the key properties of 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole?
5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole has a molecular weight of 335.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole is sourced from PubChem (CID 154788580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).