5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole

C14H10Cl2N4O — CID 155154155

IUPAC5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
SMILESClc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-11-4-5-13(12(16)7-11)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyVPBGTFBHXOELRM-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.75
Rot. Bonds4

About 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole

5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole (PubChem CID 155154155) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
PubChem CID155154155
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
SMILESClc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-11-4-5-13(12(16)7-11)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyVPBGTFBHXOELRM-UHFFFAOYSA-N
XLogP3.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
CID 148675607
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
2,4-dichloro-1-[[3-(isocyanomethyl)phenyl]methoxy]benzene
CID 155784427
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 166114037
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole (CID 155154155) is 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole is Clc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1.
What is the InChIKey of 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole?
The InChIKey is VPBGTFBHXOELRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-11-4-5-13(12(16)7-11)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20).
What are the key properties of 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole?
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole has a molecular weight of 321.17 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).