5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole

C14H11ClN4O — CID 10613243

IUPAC5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-2-10(8-12)9-20-13-6-4-11(5-7-13)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19)
InChIKeyOQPKKAAFUHENNP-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.10
Rot. Bonds4

About 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole

5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 10613243) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID10613243
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESClc1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-2-10(8-12)9-20-13-6-4-11(5-7-13)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19)
InChIKeyOQPKKAAFUHENNP-UHFFFAOYSA-N
XLogP3.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
5-(4-phenylmethoxyphenyl)-2-propan-2-yltetrazole;5-(4-phenylmethoxyphenyl)-2H-tetrazole
CID 159213434
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
CID 67690189
5-chloro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
CID 118191569
6-[(3-chlorophenyl)methoxy]-1H-indazol-3-amine
CID 126696122
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole (CID 10613243) is 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole is Clc1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is OQPKKAAFUHENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-3-1-2-10(8-12)9-20-13-6-4-11(5-7-13)14-16-18-19-17-14/h1-8H,9H2,(H,16,17,18,19).
What are the key properties of 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 286.72 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 10613243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).