(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol

C22H20N4O2 — CID 30136047

IUPAC(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c27-20(15-26-24-22(23-25-26)19-9-5-2-6-10-19)16-28-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-14,20,27H,15-16H2/t20-/m1/s1
InChIKeyGRSUYIOLQABUTR-HXUWFJFHSA-N
MW372.43 g/mol
LogP3.45
Rot. Bonds7

About (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol

(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 30136047) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID30136047
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c27-20(15-26-24-22(23-25-26)19-9-5-2-6-10-19)16-28-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-14,20,27H,15-16H2/t20-/m1/s1
InChIKeyGRSUYIOLQABUTR-HXUWFJFHSA-N
XLogP3.45
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
CID 51933554
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 30136047) is (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is O[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is GRSUYIOLQABUTR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20(15-26-24-22(23-25-26)19-9-5-2-6-10-19)16-28-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-14,20,27H,15-16H2/t20-/m1/s1.
What are the key properties of (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 372.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 30136047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).