(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol

C12H15N3O2 — CID 114684884

IUPAC(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnnn2C)cc1C
InChIInChI=1S/C12H15N3O2/c1-8-6-9(4-5-11(8)17-3)12(16)10-7-13-14-15(10)2/h4-7,12,16H,1-3H3
InChIKeyDRZVOUASUBTLCL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol

(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114684884) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114684884
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnnn2C)cc1C
InChIInChI=1S/C12H15N3O2/c1-8-6-9(4-5-11(8)17-3)12(16)10-7-13-14-15(10)2/h4-7,12,16H,1-3H3
InChIKeyDRZVOUASUBTLCL-UHFFFAOYSA-N
XLogP1.21
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684704
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114684715
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
4-[hydroxy-(3-methyltriazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile
CID 70134253
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
CID 63969426
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol (CID 114684884) is (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol is COc1ccc(C(O)c2cnnn2C)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is DRZVOUASUBTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-9(4-5-11(8)17-3)12(16)10-7-13-14-15(10)2/h4-7,12,16H,1-3H3.
What are the key properties of (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol?
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 233.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).