2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C14H16N4O3 — CID 82366637

IUPAC2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCCCOc1ccccc1-n1nnnc1C1CC1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-2-7-21-12-6-4-3-5-11(12)18-13(15-16-17-18)9-8-10(9)14(19)20/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyDZTMCNOVWJIIRX-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.64
Rot. Bonds6

About 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366637) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366637
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCCCOc1ccccc1-n1nnnc1C1CC1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-2-7-21-12-6-4-3-5-11(12)18-13(15-16-17-18)9-8-10(9)14(19)20/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyDZTMCNOVWJIIRX-UHFFFAOYSA-N
XLogP1.64
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366590
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366648
5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87633879
3-[1-(2-propoxyphenyl)triazol-4-yl]propanoic acid
CID 82369460
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
CID 82199508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366637) is 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is CCCOc1ccccc1-n1nnnc1C1CC1C(=O)O.
What is the InChIKey of 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is DZTMCNOVWJIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-7-21-12-6-4-3-5-11(12)18-13(15-16-17-18)9-8-10(9)14(19)20/h3-6,9-10H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).