(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol

C10H11ClN4O — CID 7233521

IUPAC(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@H](CCl)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H11ClN4O/c11-6-9(16)7-15-13-10(12-14-15)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2/t9-/m1/s1
InChIKeyVDWCNZIJSGREBD-SECBINFHSA-N
MW238.68 g/mol
LogP0.94
Rot. Bonds4

About (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol

(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 7233521) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID7233521
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESO[C@H](CCl)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H11ClN4O/c11-6-9(16)7-15-13-10(12-14-15)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2/t9-/m1/s1
InChIKeyVDWCNZIJSGREBD-SECBINFHSA-N
XLogP0.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591
1-(4-methylpiperidin-1-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56820200
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
(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
1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475590
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728
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
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 7233521) is (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol is O[C@H](CCl)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is VDWCNZIJSGREBD-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-6-9(16)7-15-13-10(12-14-15)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2/t9-/m1/s1.
What are the key properties of (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol?
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 238.68 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 7233521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).