(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol

C13H17N3O2 — CID 79013751

IUPAC(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2ncnn2C)c1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)17)12(6-9)18-7-13-14-8-15-16(13)3/h4-6,8,10,17H,7H2,1-3H3/t10-/m0/s1
InChIKeyOPJMCMZBHKLZRF-JTQLQIEISA-N
MW247.30 g/mol
LogP1.76
Rot. Bonds4

About (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol

(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 79013751) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
PubChem CID79013751
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2ncnn2C)c1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)17)12(6-9)18-7-13-14-8-15-16(13)3/h4-6,8,10,17H,7H2,1-3H3/t10-/m0/s1
InChIKeyOPJMCMZBHKLZRF-JTQLQIEISA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
(1S)-1-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-5-nitrophenyl]ethanol
CID 104890302
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681
1-[4-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 102947338
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 82003529
(1S)-1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-methylphenyl]ethanol
CID 79025830
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001774
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol (CID 79013751) is (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2ncnn2C)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is OPJMCMZBHKLZRF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-5-11(10(2)17)12(6-9)18-7-13-14-8-15-16(13)3/h4-6,8,10,17H,7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79013751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).