5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride

C14H12Cl2N4O — CID 163327284

IUPAC5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H11ClN4O.ClH/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14;/h1-8H,9H2,(H,16,17,18,19);1H
InChIKeyPXHNPVZCRSJCQT-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.52
Rot. Bonds4

About 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride

5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride (PubChem CID 163327284) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride.

Molecular Properties

Compound Name5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
PubChem CID163327284
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H11ClN4O.ClH/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14;/h1-8H,9H2,(H,16,17,18,19);1H
InChIKeyPXHNPVZCRSJCQT-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-(4-phenylmethoxyphenyl)-2-propan-2-yltetrazole;5-(4-phenylmethoxyphenyl)-2H-tetrazole
CID 159213434
3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71538316
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
CID 7986318
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride?
The IUPAC name of 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride (CID 163327284) is 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride.
What is the SMILES notation for 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride?
The canonical SMILES for 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride is Cl.Clc1ccccc1COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride?
The InChIKey is PXHNPVZCRSJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O.ClH/c15-13-4-2-1-3-11(13)9-20-12-7-5-10(6-8-12)14-16-18-19-17-14;/h1-8H,9H2,(H,16,17,18,19);1H.
What are the key properties of 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride?
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride has a molecular weight of 323.18 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride is sourced from PubChem (CID 163327284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).