4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol

C20H24N5O2+ — CID 7071990

IUPAC4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(O)cc1)[NH+]1CCOCC1
InChIInChI=1S/C20H23N5O2/c1-14-4-3-5-15(2)18(14)25-20(21-22-23-25)19(24-10-12-27-13-11-24)16-6-8-17(26)9-7-16/h3-9,19,26H,10-13H2,1-2H3/p+1/t19-/m1/s1
InChIKeyLQMSXKXBGREFRS-LJQANCHMSA-O
MW366.45 g/mol
LogP0.99
Rot. Bonds4

About 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol

4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol (PubChem CID 7071990) has the molecular formula C20H24N5O2+ and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
PubChem CID7071990
Molecular FormulaC20H24N5O2+
Molecular Weight366.45 g/mol
Exact Mass366.19
IUPAC Name4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(O)cc1)[NH+]1CCOCC1
InChIInChI=1S/C20H23N5O2/c1-14-4-3-5-15(2)18(14)25-20(21-22-23-25)19(24-10-12-27-13-11-24)16-6-8-17(26)9-7-16/h3-9,19,26H,10-13H2,1-2H3/p+1/t19-/m1/s1
InChIKeyLQMSXKXBGREFRS-LJQANCHMSA-O
XLogP0.99
TPSA77.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol?
The IUPAC name of 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol (CID 7071990) is 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol.
What is the SMILES notation for 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol?
The canonical SMILES for 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol is Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(O)cc1)[NH+]1CCOCC1.
What is the InChIKey of 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol?
The InChIKey is LQMSXKXBGREFRS-LJQANCHMSA-O. The full InChI is InChI=1S/C20H23N5O2/c1-14-4-3-5-15(2)18(14)25-20(21-22-23-25)19(24-10-12-27-13-11-24)16-6-8-17(26)9-7-16/h3-9,19,26H,10-13H2,1-2H3/p+1/t19-/m1/s1.
What are the key properties of 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol?
4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol has a molecular weight of 366.45 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol is sourced from PubChem (CID 7071990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).