1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole

C14H10Cl2N4O — CID 16766566

IUPAC1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole
SMILESCc1nnnn1-c1ccc(Oc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c1-9-17-18-19-20(9)10-6-7-14(12(16)8-10)21-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyCPJKXKVLKIHSBQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.07
Rot. Bonds3

About 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole

1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole (PubChem CID 16766566) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole
PubChem CID16766566
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole
SMILESCc1nnnn1-c1ccc(Oc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c1-9-17-18-19-20(9)10-6-7-14(12(16)8-10)21-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyCPJKXKVLKIHSBQ-UHFFFAOYSA-N
XLogP4.07
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole?
The IUPAC name of 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole (CID 16766566) is 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole.
What is the SMILES notation for 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole?
The canonical SMILES for 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole is Cc1nnnn1-c1ccc(Oc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole?
The InChIKey is CPJKXKVLKIHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-9-17-18-19-20(9)10-6-7-14(12(16)8-10)21-13-5-3-2-4-11(13)15/h2-8H,1H3.
What are the key properties of 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole?
1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole has a molecular weight of 321.17 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyltetrazole is sourced from PubChem (CID 16766566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).