4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole

C18H18FN3O2 — CID 58066489

IUPAC4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-10-7-13(9-16(24-4)11(10)2)18-17(20-22-21-18)12-5-6-15(23-3)14(19)8-12/h5-9H,1-4H3,(H,20,21,22)
InChIKeyGMJPHHWRDUNUCC-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.91
Rot. Bonds4

About 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole

4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole (PubChem CID 58066489) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
PubChem CID58066489
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-10-7-13(9-16(24-4)11(10)2)18-17(20-22-21-18)12-5-6-15(23-3)14(19)8-12/h5-9H,1-4H3,(H,20,21,22)
InChIKeyGMJPHHWRDUNUCC-UHFFFAOYSA-N
XLogP3.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-triazole
CID 91938086
(5R)-5-(4-fluorophenyl)-3-[5-(3-methoxyphenyl)-2H-triazol-4-yl]cyclohex-2-en-1-one
CID 46904786
4-[5-(4-methoxyphenyl)-2H-triazol-4-yl]phenol
CID 162657424
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-methoxyphenyl)-5-phenyl-2H-triazole
CID 102244181
4-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59429970
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
4-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430309
4-(3-fluoro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
CID 59983927
4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole
CID 59983928
5-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
CID 90468680
5-[3-[[3,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 90468681

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole (CID 58066489) is 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole is COc1ccc(-c2n[nH]nc2-c2cc(C)c(C)c(OC)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
The InChIKey is GMJPHHWRDUNUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10-7-13(9-16(24-4)11(10)2)18-17(20-22-21-18)12-5-6-15(23-3)14(19)8-12/h5-9H,1-4H3,(H,20,21,22).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole?
4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole has a molecular weight of 327.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-2H-triazole is sourced from PubChem (CID 58066489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).