5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole

C14H10Cl2N4O — CID 24617612

IUPAC5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
SMILESClc1cc(Cl)cc(OCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-6-11(16)8-13(7-10)21-9-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyADWBHRXQDKKSGE-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.55
Rot. Bonds4

About 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole

5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole (PubChem CID 24617612) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
PubChem CID24617612
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
SMILESClc1cc(Cl)cc(OCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-6-11(16)8-13(7-10)21-9-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyADWBHRXQDKKSGE-UHFFFAOYSA-N
XLogP3.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
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5-[(2-chloro-4-nitrophenoxy)methyl]-1-phenyltetrazole
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(1-phenyltetrazol-5-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
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1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
CID 55988919
5-butyl-1-phenyltetrazole
CID 69031432
5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
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dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
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2-(1-phenyltetrazol-5-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole (CID 24617612) is 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole is Clc1cc(Cl)cc(OCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole?
The InChIKey is ADWBHRXQDKKSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-10-6-11(16)8-13(7-10)21-9-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole?
5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole has a molecular weight of 321.17 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole is sourced from PubChem (CID 24617612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).