[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol

C11H11Cl2N3O2 — CID 82207746

IUPAC[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-16-10(9(5-17)14-15-16)6-18-11-3-2-7(12)4-8(11)13/h2-4,17H,5-6H2,1H3
InChIKeyFYMDJMWEXJRRMB-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.19
Rot. Bonds4

About [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol

[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol (PubChem CID 82207746) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol
PubChem CID82207746
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-16-10(9(5-17)14-15-16)6-18-11-3-2-7(12)4-8(11)13/h2-4,17H,5-6H2,1H3
InChIKeyFYMDJMWEXJRRMB-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207921
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310357
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 9013564
[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207915
[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
CID 167650067
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol (CID 82207746) is [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol is Cn1nnc(CO)c1COc1ccc(Cl)cc1Cl.
What is the InChIKey of [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol?
The InChIKey is FYMDJMWEXJRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-16-10(9(5-17)14-15-16)6-18-11-3-2-7(12)4-8(11)13/h2-4,17H,5-6H2,1H3.
What are the key properties of [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol?
[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol has a molecular weight of 288.13 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82207746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).