2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol

C18H19N3O — CID 95220725

IUPAC2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol
SMILESC[C@@H](c1ccccc1)n1cnnc1CCc1ccccc1O
InChIInChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)21-13-19-20-18(21)12-11-16-9-5-6-10-17(16)22/h2-10,13-14,22H,11-12H2,1H3/t14-/m0/s1
InChIKeyFAXSQAMQYDCFPT-AWEZNQCLSA-N
MW293.37 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol

2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol (PubChem CID 95220725) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol
PubChem CID95220725
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol
SMILESC[C@@H](c1ccccc1)n1cnnc1CCc1ccccc1O
InChIInChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)21-13-19-20-18(21)12-11-16-9-5-6-10-17(16)22/h2-10,13-14,22H,11-12H2,1H3/t14-/m0/s1
InChIKeyFAXSQAMQYDCFPT-AWEZNQCLSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol?
The IUPAC name of 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol (CID 95220725) is 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol.
What is the SMILES notation for 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol?
The canonical SMILES for 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol is C[C@@H](c1ccccc1)n1cnnc1CCc1ccccc1O.
What is the InChIKey of 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol?
The InChIKey is FAXSQAMQYDCFPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(15-7-3-2-4-8-15)21-13-19-20-18(21)12-11-16-9-5-6-10-17(16)22/h2-10,13-14,22H,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol?
2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol has a molecular weight of 293.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethyl]phenol is sourced from PubChem (CID 95220725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).