1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole

C14H11ClN4O — CID 7697447

IUPAC1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
SMILESClc1cccc(COc2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-2-11(8-12)9-20-14-6-4-13(5-7-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyMRAUUIVWOMQYFG-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole

1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole (PubChem CID 7697447) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
PubChem CID7697447
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
SMILESClc1cccc(COc2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-2-11(8-12)9-20-14-6-4-13(5-7-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyMRAUUIVWOMQYFG-UHFFFAOYSA-N
XLogP2.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 17398436
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
ethyl 1-[4-[(3-chlorophenyl)methoxy]-3-(tetrazol-1-yl)phenyl]-6-oxopyrimidine-5-carboxylate
CID 175113855
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole (CID 7697447) is 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole is Clc1cccc(COc2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole?
The InChIKey is MRAUUIVWOMQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-3-1-2-11(8-12)9-20-14-6-4-13(5-7-14)19-10-16-17-18-19/h1-8,10H,9H2.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole?
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole has a molecular weight of 286.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 7697447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).