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

C14H8Cl4N4O — CID 132593025

IUPAC5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1ccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4N4O/c15-9-2-1-7(10(16)5-9)6-23-13-11(17)3-8(4-12(13)18)14-19-21-22-20-14/h1-5H,6H2,(H,19,20,21,22)
InChIKeyDNWXOWFURBWJBF-UHFFFAOYSA-N
MW390.06 g/mol
LogP5.06
Rot. Bonds4

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

5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593025) has the molecular formula C14H8Cl4N4O and a molecular weight of 390.06 g/mol. Its IUPAC name is 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593025
Molecular FormulaC14H8Cl4N4O
Molecular Weight390.06 g/mol
Exact Mass387.95
IUPAC Name5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1ccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl4N4O/c15-9-2-1-7(10(16)5-9)6-23-13-11(17)3-8(4-12(13)18)14-19-21-22-20-14/h1-5H,6H2,(H,19,20,21,22)
InChIKeyDNWXOWFURBWJBF-UHFFFAOYSA-N
XLogP5.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.06
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591879
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 126183262
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
1-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 4247445
5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
CID 132592894

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole (CID 132593025) is 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole is Clc1ccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is DNWXOWFURBWJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N4O/c15-9-2-1-7(10(16)5-9)6-23-13-11(17)3-8(4-12(13)18)14-19-21-22-20-14/h1-5H,6H2,(H,19,20,21,22).
What are the key properties of 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 390.06 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).