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

C16H15FN4O2 — CID 94797788

IUPAC(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(F)cc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15FN4O2/c17-13-6-8-15(9-7-13)23-11-14(22)10-21-19-16(18-20-21)12-4-2-1-3-5-12/h1-9,14,22H,10-11H2/t14-/m1/s1
InChIKeyYGMWTTKOCIJXTC-CQSZACIVSA-N
MW314.32 g/mol
LogP1.92
Rot. Bonds6

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

(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 94797788) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID94797788
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(F)cc1)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H15FN4O2/c17-13-6-8-15(9-7-13)23-11-14(22)10-21-19-16(18-20-21)12-4-2-1-3-5-12/h1-9,14,22H,10-11H2/t14-/m1/s1
InChIKeyYGMWTTKOCIJXTC-CQSZACIVSA-N
XLogP1.92
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(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
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
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
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 94797788) is (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is O[C@@H](COc1ccc(F)cc1)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is YGMWTTKOCIJXTC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-13-6-8-15(9-7-13)23-11-14(22)10-21-19-16(18-20-21)12-4-2-1-3-5-12/h1-9,14,22H,10-11H2/t14-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 314.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 94797788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).