(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol

C13H17N3O4 — CID 114684715

IUPAC(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2cnnn2C)c(OC)c1
InChIInChI=1S/C13H17N3O4/c1-16-9(7-14-15-16)13(17)12-10(19-3)5-8(18-2)6-11(12)20-4/h5-7,13,17H,1-4H3
InChIKeyZUYMBBXTRKRQKI-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.92
Rot. Bonds5

About (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol

(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol (PubChem CID 114684715) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
PubChem CID114684715
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2cnnn2C)c(OC)c1
InChIInChI=1S/C13H17N3O4/c1-16-9(7-14-15-16)13(17)12-10(19-3)5-8(18-2)6-11(12)20-4/h5-7,13,17H,1-4H3
InChIKeyZUYMBBXTRKRQKI-UHFFFAOYSA-N
XLogP0.92
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
(3-bromo-4-methoxyphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684704
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
CID 114684708
(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
(4-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 114685175
(3-chloro-5-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 115836020

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol?
The IUPAC name of (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol (CID 114684715) is (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol.
What is the SMILES notation for (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol?
The canonical SMILES for (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2cnnn2C)c(OC)c1.
What is the InChIKey of (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol?
The InChIKey is ZUYMBBXTRKRQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16-9(7-14-15-16)13(17)12-10(19-3)5-8(18-2)6-11(12)20-4/h5-7,13,17H,1-4H3.
What are the key properties of (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol?
(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol has a molecular weight of 279.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol is sourced from PubChem (CID 114684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).