2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole

C17H17FN4O — CID 112769919

IUPAC2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
SMILESCCc1cccc(OCCn2nnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-2-13-5-3-8-16(11-13)23-10-9-22-20-17(19-21-22)14-6-4-7-15(18)12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyRLABESPOMLDVMN-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole

2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole (PubChem CID 112769919) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
PubChem CID112769919
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
SMILESCCc1cccc(OCCn2nnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-2-13-5-3-8-16(11-13)23-10-9-22-20-17(19-21-22)14-6-4-7-15(18)12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyRLABESPOMLDVMN-UHFFFAOYSA-N
XLogP3.12
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
CID 7465856
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
CID 47037035
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
CID 36657770
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole
CID 55426091
ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate
CID 17458668
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole?
The IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole (CID 112769919) is 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole?
The canonical SMILES for 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole is CCc1cccc(OCCn2nnc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole?
The InChIKey is RLABESPOMLDVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-13-5-3-8-16(11-13)23-10-9-22-20-17(19-21-22)14-6-4-7-15(18)12-14/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole?
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole has a molecular weight of 312.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole is sourced from PubChem (CID 112769919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).