cyclohexyl 4-(2H-tetrazol-5-yl)benzoate

C14H16N4O2 — CID 23540992

IUPACcyclohexyl 4-(2H-tetrazol-5-yl)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H16N4O2/c19-14(20-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-15-17-18-16-13/h6-9,12H,1-5H2,(H,15,16,17,18)
InChIKeyKFIBQCNRDDYVMW-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.36
Rot. Bonds3

About cyclohexyl 4-(2H-tetrazol-5-yl)benzoate

cyclohexyl 4-(2H-tetrazol-5-yl)benzoate (PubChem CID 23540992) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is cyclohexyl 4-(2H-tetrazol-5-yl)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(2H-tetrazol-5-yl)benzoate
PubChem CID23540992
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namecyclohexyl 4-(2H-tetrazol-5-yl)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H16N4O2/c19-14(20-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-15-17-18-16-13/h6-9,12H,1-5H2,(H,15,16,17,18)
InChIKeyKFIBQCNRDDYVMW-UHFFFAOYSA-N
XLogP2.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
cyclopentyl 4-fluorobenzoate
CID 579482
cyclopentyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 82179718
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
cyclopropyl 4-fluorobenzoate
CID 126986458
CID 175020702
CID 175020702
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclododecyl 4-(dimethylsulfamoyl)benzoate
CID 5032612
cyclohexyl 4-(dimethylsulfamoyl)benzoate
CID 2079292
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
pent-2-ynyl 4-(2H-tetrazol-5-yl)benzoate
CID 23541057

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(2H-tetrazol-5-yl)benzoate?
The IUPAC name of cyclohexyl 4-(2H-tetrazol-5-yl)benzoate (CID 23540992) is cyclohexyl 4-(2H-tetrazol-5-yl)benzoate.
What is the SMILES notation for cyclohexyl 4-(2H-tetrazol-5-yl)benzoate?
The canonical SMILES for cyclohexyl 4-(2H-tetrazol-5-yl)benzoate is O=C(OC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of cyclohexyl 4-(2H-tetrazol-5-yl)benzoate?
The InChIKey is KFIBQCNRDDYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(20-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-15-17-18-16-13/h6-9,12H,1-5H2,(H,15,16,17,18).
What are the key properties of cyclohexyl 4-(2H-tetrazol-5-yl)benzoate?
cyclohexyl 4-(2H-tetrazol-5-yl)benzoate has a molecular weight of 272.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(2H-tetrazol-5-yl)benzoate is sourced from PubChem (CID 23540992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).