[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone

C123H106ClN21O14 — CID 159584885

IUPAC[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cc(C)cc(C(=O)c2cn(-c3c(C)cccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3cc(Cl)ccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccccc3)nn2)c(O)c1.Cc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1.Cc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C20H15N3O2.3C18H17N3O2.C17H14ClN3O2.2C16H13N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16;2*1-11-4-5-16(17(22)9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-12(2)9-14(8-11)18(23)15-10-21(20-19-15)17-13(3)5-4-6-16(17)22;1-10-5-11(2)7-12(6-10)17(23)14-9-21(20-19-14)15-8-13(18)3-4-16(15)22;1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12;1-11-7-8-14(15(20)9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-12,24H,1H3;3*4-10,22H,1-3H3;3-9,22H,1-2H3;2*2-10,20H,1H3
InChIKeyMJMIDQYZTFXHFU-UHFFFAOYSA-N
MW2137.79 g/mol
LogP21.55
Rot. Bonds21

About [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone

[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone (PubChem CID 159584885) has the molecular formula C123H106ClN21O14 and a molecular weight of 2137.79 g/mol. Its IUPAC name is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
PubChem CID159584885
Molecular FormulaC123H106ClN21O14
Molecular Weight2137.79 g/mol
Exact Mass2135.79
IUPAC Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cc(C)cc(C(=O)c2cn(-c3c(C)cccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3cc(Cl)ccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccccc3)nn2)c(O)c1.Cc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1.Cc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C20H15N3O2.3C18H17N3O2.C17H14ClN3O2.2C16H13N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16;2*1-11-4-5-16(17(22)9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-12(2)9-14(8-11)18(23)15-10-21(20-19-15)17-13(3)5-4-6-16(17)22;1-10-5-11(2)7-12(6-10)17(23)14-9-21(20-19-14)15-8-13(18)3-4-16(15)22;1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12;1-11-7-8-14(15(20)9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-12,24H,1H3;3*4-10,22H,1-3H3;3-9,22H,1-2H3;2*2-10,20H,1H3
InChIKeyMJMIDQYZTFXHFU-UHFFFAOYSA-N
XLogP21.55
TPSA476.07 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002137.79
LogP ≤ 521.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone (CID 159584885) is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone is Cc1cc(C)cc(C(=O)c2cn(-c3c(C)cccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3cc(Cl)ccc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1cc(C)cc(C(=O)c2cn(-c3ccc(C)cc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccccc3)nn2)c(O)c1.Cc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1.Cc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1.
What is the InChIKey of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is MJMIDQYZTFXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.3C18H17N3O2.C17H14ClN3O2.2C16H13N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16;2*1-11-4-5-16(17(22)9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-12(2)9-14(8-11)18(23)15-10-21(20-19-15)17-13(3)5-4-6-16(17)22;1-10-5-11(2)7-12(6-10)17(23)14-9-21(20-19-14)15-8-13(18)3-4-16(15)22;1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12;1-11-7-8-14(15(20)9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-12,24H,1H3;3*4-10,22H,1-3H3;3-9,22H,1-2H3;2*2-10,20H,1H3.
What are the key properties of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 2137.79 g/mol, XLogP of 21.55, 21 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-(3,5-dimethylphenyl)methanone;bis((3,5-dimethylphenyl)-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]methanone);(3,5-dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-phenylmethanone;[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 159584885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).