1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole

C11H12ClN3O — CID 3333017

IUPAC1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole
SMILESCc1cc(Cl)ccc1OCCn1cncn1
InChIInChI=1S/C11H12ClN3O/c1-9-6-10(12)2-3-11(9)16-5-4-15-8-13-7-14-15/h2-3,6-8H,4-5H2,1H3
InChIKeyOIDWUFCQUXOXGT-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole

1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole (PubChem CID 3333017) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole
PubChem CID3333017
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole
SMILESCc1cc(Cl)ccc1OCCn1cncn1
InChIInChI=1S/C11H12ClN3O/c1-9-6-10(12)2-3-11(9)16-5-4-15-8-13-7-14-15/h2-3,6-8H,4-5H2,1H3
InChIKeyOIDWUFCQUXOXGT-UHFFFAOYSA-N
XLogP2.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-isopropyl-2-methylphenoxy)ethyl]-1H-1,2,4-triazole
CID 976107
2-[2-(1H-1,2,4-triazol-1-yl)ethoxy]benzonitrile
CID 976192
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
1-[4-(2-bromo-4-chloro-6-methylphenoxy)butyl]-1H-1,2,4-triazole
CID 2199973
1-[2-(2-allyl-4,6-dimethylphenoxy)ethyl]-1H-1,2,4-triazole
CID 976045
1-[2-(2-biphenylyloxy)ethyl]-1H-1,2,4-triazole
CID 976119
1H-1,2,4-Triazole, 1-[1-(5-chloro-2-methoxyphenyl)-2-ethyl-1-butenyl]-
CID 3007539
1-[1-[5-Chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-ethyl-but-1-enyl]-1,2,4-triazole
CID 3007541
1-[1-(5-Chloro-2-isobutoxy-phenyl)vinyl]-1,2,4-triazole
CID 3007538
1-[1-(5-Chloro-2-isobutoxy-phenyl)-2-ethyl-but-1-enyl]-1,2,4-triazole
CID 3007540
(E)-3-(5-chloro-2-sec-butoxy-phenyl)-N,N-dimethyl-3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
CID 6479470

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole (CID 3333017) is 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole is Cc1cc(Cl)ccc1OCCn1cncn1.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole?
The InChIKey is OIDWUFCQUXOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-9-6-10(12)2-3-11(9)16-5-4-15-8-13-7-14-15/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole?
1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole has a molecular weight of 237.69 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 3333017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).