bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate

C19H16Cl2N8O3 — CID 175675341

IUPACbis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate
SMILESO=C(O[C@@H](Cn1ncnn1)c1ccccc1Cl)O[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C19H16Cl2N8O3/c20-15-7-3-1-5-13(15)17(9-28-24-11-22-26-28)31-19(30)32-18(10-29-25-12-23-27-29)14-6-2-4-8-16(14)21/h1-8,11-12,17-18H,9-10H2/t17-,18-/m0/s1
InChIKeyWZODLFIPLBODRN-ROUUACIJSA-N
MW475.30 g/mol
LogP3.30
Rot. Bonds8

About bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate

bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate (PubChem CID 175675341) has the molecular formula C19H16Cl2N8O3 and a molecular weight of 475.30 g/mol. Its IUPAC name is bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate.

Molecular Properties

Compound Namebis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate
PubChem CID175675341
Molecular FormulaC19H16Cl2N8O3
Molecular Weight475.30 g/mol
Exact Mass474.07
IUPAC Namebis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate
SMILESO=C(O[C@@H](Cn1ncnn1)c1ccccc1Cl)O[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C19H16Cl2N8O3/c20-15-7-3-1-5-13(15)17(9-28-24-11-22-26-28)31-19(30)32-18(10-29-25-12-23-27-29)14-6-2-4-8-16(14)21/h1-8,11-12,17-18H,9-10H2/t17-,18-/m0/s1
InChIKeyWZODLFIPLBODRN-ROUUACIJSA-N
XLogP3.30
TPSA122.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2-[(2R)-2-(2-chlorophenyl)-2-[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
CID 142760144
2-[(2S)-2-(2-chlorophenyl)-2-[(1S)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]ethyl]tetrazole
CID 142760151
(2S,3S,4S,5R,6R)-6-[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 146019672
(2S,3S,4S,5R,6R)-6-[[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethoxy]carbonylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 146019392
[1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] 4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 11962534
[(1R)-1-(2-chlorophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethyl] carbamate
CID 175881321
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
CID 142378040
1-(2-chloro-5-deuteriophenyl)-1,2,2-trideuterio-2-(tetrazol-2-yl)ethanol
CID 168867359
2-[3-(2-chlorophenoxy)propyl]tetrazole
CID 91366499
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412

Frequently Asked Questions

What is the IUPAC name of bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate?
The IUPAC name of bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate (CID 175675341) is bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate.
What is the SMILES notation for bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate?
The canonical SMILES for bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate is O=C(O[C@@H](Cn1ncnn1)c1ccccc1Cl)O[C@@H](Cn1ncnn1)c1ccccc1Cl.
What is the InChIKey of bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate?
The InChIKey is WZODLFIPLBODRN-ROUUACIJSA-N. The full InChI is InChI=1S/C19H16Cl2N8O3/c20-15-7-3-1-5-13(15)17(9-28-24-11-22-26-28)31-19(30)32-18(10-29-25-12-23-27-29)14-6-2-4-8-16(14)21/h1-8,11-12,17-18H,9-10H2/t17-,18-/m0/s1.
What are the key properties of bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate?
bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate has a molecular weight of 475.30 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbonate is sourced from PubChem (CID 175675341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).