[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol

C16H21N3O2 — CID 167816168

IUPAC[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
SMILESCC1(Cn2cc(COc3cccc(CO)c3)nn2)CCC1
InChIInChI=1S/C16H21N3O2/c1-16(6-3-7-16)12-19-9-14(17-18-19)11-21-15-5-2-4-13(8-15)10-20/h2,4-5,8-9,20H,3,6-7,10-12H2,1H3
InChIKeyMJXCBTYNUACPHV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds6

About [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol

[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol (PubChem CID 167816168) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
PubChem CID167816168
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
SMILESCC1(Cn2cc(COc3cccc(CO)c3)nn2)CCC1
InChIInChI=1S/C16H21N3O2/c1-16(6-3-7-16)12-19-9-14(17-18-19)11-21-15-5-2-4-13(8-15)10-20/h2,4-5,8-9,20H,3,6-7,10-12H2,1H3
InChIKeyMJXCBTYNUACPHV-UHFFFAOYSA-N
XLogP2.54
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
CID 167867440
3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
CID 166366791
4-(bromomethyl)-1-[(1-methylcyclobutyl)methyl]triazole
CID 130601543
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
CID 70911020
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
[3-[[5-(methylamino)pyrazin-2-yl]methoxy]phenyl]methanol
CID 103058951
2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041397
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
3-[[1-[(2-tert-butylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166267088

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol (CID 167816168) is [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol is CC1(Cn2cc(COc3cccc(CO)c3)nn2)CCC1.
What is the InChIKey of [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is MJXCBTYNUACPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(6-3-7-16)12-19-9-14(17-18-19)11-21-15-5-2-4-13(8-15)10-20/h2,4-5,8-9,20H,3,6-7,10-12H2,1H3.
What are the key properties of [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
[3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(1-methylcyclobutyl)methyl]triazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 167816168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).