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

C15H12BrFN4O2 — CID 132591898

IUPAC5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN4O2/c1-22-13-7-10(15-18-20-21-19-15)6-12(16)14(13)23-8-9-2-4-11(17)5-3-9/h2-7H,8H2,1H3,(H,18,19,20,21)
InChIKeyBSLJEWBBUGHVKP-UHFFFAOYSA-N
MW379.19 g/mol
LogP3.36
Rot. Bonds5

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

5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole (PubChem CID 132591898) has the molecular formula C15H12BrFN4O2 and a molecular weight of 379.19 g/mol. Its IUPAC name is 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
PubChem CID132591898
Molecular FormulaC15H12BrFN4O2
Molecular Weight379.19 g/mol
Exact Mass378.01
IUPAC Name5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN4O2/c1-22-13-7-10(15-18-20-21-19-15)6-12(16)14(13)23-8-9-2-4-11(17)5-3-9/h2-7H,8H2,1H3,(H,18,19,20,21)
InChIKeyBSLJEWBBUGHVKP-UHFFFAOYSA-N
XLogP3.36
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591879
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethylaniline
CID 126124834
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethoxyaniline
CID 126119393
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292613
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169403795
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 17209307
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291731
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721583
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-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole (CID 132591898) is 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole is COc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccc(F)cc1.
What is the InChIKey of 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
The InChIKey is BSLJEWBBUGHVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O2/c1-22-13-7-10(15-18-20-21-19-15)6-12(16)14(13)23-8-9-2-4-11(17)5-3-9/h2-7H,8H2,1H3,(H,18,19,20,21).
What are the key properties of 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole?
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole has a molecular weight of 379.19 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole is sourced from PubChem (CID 132591898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).