5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole

C15H11Cl2FN4O2 — CID 132591879

IUPAC5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(Cl)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11Cl2FN4O2/c1-23-13-5-9(15-19-21-22-20-15)4-12(17)14(13)24-7-8-2-3-10(18)6-11(8)16/h2-6H,7H2,1H3,(H,19,20,21,22)
InChIKeyTZTVDGOZGOERJF-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.90
Rot. Bonds5

About 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole (PubChem CID 132591879) has the molecular formula C15H11Cl2FN4O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
PubChem CID132591879
Molecular FormulaC15H11Cl2FN4O2
Molecular Weight369.18 g/mol
Exact Mass368.02
IUPAC Name5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(Cl)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11Cl2FN4O2/c1-23-13-5-9(15-19-21-22-20-15)4-12(17)14(13)24-7-8-2-3-10(18)6-11(8)16/h2-6H,7H2,1H3,(H,19,20,21,22)
InChIKeyTZTVDGOZGOERJF-UHFFFAOYSA-N
XLogP3.90
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
CID 132592894
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide
CID 144900876
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622437
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The IUPAC name of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole (CID 132591879) is 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole is COc1cc(-c2nn[nH]n2)cc(Cl)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The InChIKey is TZTVDGOZGOERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O2/c1-23-13-5-9(15-19-21-22-20-15)4-12(17)14(13)24-7-8-2-3-10(18)6-11(8)16/h2-6H,7H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole has a molecular weight of 369.18 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole is sourced from PubChem (CID 132591879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).