5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole

C14H9Cl3N4O — CID 132593229

IUPAC5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4O/c15-10-3-1-8(5-11(10)16)7-22-13-4-2-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyWHVPEXPOKPMHTB-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.41
Rot. Bonds4

About 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole

5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593229) has the molecular formula C14H9Cl3N4O and a molecular weight of 355.61 g/mol. Its IUPAC name is 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593229
Molecular FormulaC14H9Cl3N4O
Molecular Weight355.61 g/mol
Exact Mass353.98
IUPAC Name5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N4O/c15-10-3-1-8(5-11(10)16)7-22-13-4-2-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyWHVPEXPOKPMHTB-UHFFFAOYSA-N
XLogP4.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
4-[3-chloro-4-(cyclopropylmethoxy)phenyl]-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240840
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240876
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole (CID 132593229) is 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole is Clc1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is WHVPEXPOKPMHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4O/c15-10-3-1-8(5-11(10)16)7-22-13-4-2-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21).
What are the key properties of 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 355.61 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).