5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole

C15H13ClN4O — CID 103084357

IUPAC5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole
SMILESCC(Cl)c1nnnn1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13ClN4O/c1-11(16)15-17-18-19-20(15)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyFLKZYWVCTMTKBG-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds4

About 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole

5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole (PubChem CID 103084357) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole
PubChem CID103084357
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole
SMILESCC(Cl)c1nnnn1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13ClN4O/c1-11(16)15-17-18-19-20(15)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyFLKZYWVCTMTKBG-UHFFFAOYSA-N
XLogP3.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloroethyl)-1-(3-nitrophenyl)tetrazole
CID 103084320
5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole
CID 103084274
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-(2-bromo-3-methylphenyl)-5-(1-chloroethyl)tetrazole
CID 103084623
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
5-(1-chloroethyl)-1-[2-(methoxymethyl)phenyl]tetrazole
CID 103084345
5-[(3-phenoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 2231014
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
1-benzhydryl-5-(1-chloroethyl)tetrazole
CID 103084363
5-(1-chloroethyl)-1-(2,4,6-trifluorophenyl)tetrazole
CID 103084581
1-(3-propan-2-yloxyphenyl)tetrazole-5-carbaldehyde
CID 170902845
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole (CID 103084357) is 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole is CC(Cl)c1nnnn1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole?
The InChIKey is FLKZYWVCTMTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-11(16)15-17-18-19-20(15)12-6-5-9-14(10-12)21-13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole?
5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole has a molecular weight of 300.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(3-phenoxyphenyl)tetrazole is sourced from PubChem (CID 103084357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).