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

C125H96Cl3N21O12 — CID 160948608

IUPAC[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cc(C)cc(C(=O)c2cn(-c3cc(C)ccc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c(O)c1.Cc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2)nn1.Cc1ccc(Cl)cc1-n1nncc1C(=O)c1ccccc1.Cc1ccc(O)c(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c1.Cc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1.O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/2C20H15N3O2.C19H12ClN3O2.C18H17N3O2.2C16H12ClN3O.C16H13N3O2/c1-13-6-9-19(24)18(10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;1-13-6-9-18(19(24)10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14;1-11-4-5-17(22)16(9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-8-13(17)9-15(11)20-10-14(18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-13(17)9-14(11)20-15(10-18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2*2-12,24H,1H3;1-11,24H;4-10,22H,1-3H3;2*2-10H,1H3;2-10,20H,1H3
InChIKeySVLLMAGIVHJVIF-UHFFFAOYSA-N
MW2190.64 g/mol
LogP23.90
Rot. Bonds21

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

[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone (PubChem CID 160948608) has the molecular formula C125H96Cl3N21O12 and a molecular weight of 2190.64 g/mol. Its IUPAC name is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
PubChem CID160948608
Molecular FormulaC125H96Cl3N21O12
Molecular Weight2190.64 g/mol
Exact Mass2187.66
IUPAC Name[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cc(C)cc(C(=O)c2cn(-c3cc(C)ccc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c(O)c1.Cc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2)nn1.Cc1ccc(Cl)cc1-n1nncc1C(=O)c1ccccc1.Cc1ccc(O)c(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c1.Cc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1.O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/2C20H15N3O2.C19H12ClN3O2.C18H17N3O2.2C16H12ClN3O.C16H13N3O2/c1-13-6-9-19(24)18(10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;1-13-6-9-18(19(24)10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14;1-11-4-5-17(22)16(9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-8-13(17)9-15(11)20-10-14(18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-13(17)9-14(11)20-15(10-18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2*2-12,24H,1H3;1-11,24H;4-10,22H,1-3H3;2*2-10H,1H3;2-10,20H,1H3
InChIKeySVLLMAGIVHJVIF-UHFFFAOYSA-N
XLogP23.90
TPSA435.61 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.64
LogP ≤ 523.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-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]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone (CID 160948608) is [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone is Cc1cc(C)cc(C(=O)c2cn(-c3cc(C)ccc3O)nn2)c1.Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c(O)c1.Cc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2)nn1.Cc1ccc(Cl)cc1-n1nncc1C(=O)c1ccccc1.Cc1ccc(O)c(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c1.Cc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1.O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1.
What is the InChIKey of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is SVLLMAGIVHJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N3O2.C19H12ClN3O2.C18H17N3O2.2C16H12ClN3O.C16H13N3O2/c1-13-6-9-19(24)18(10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;1-13-6-9-18(19(24)10-13)23-12-17(21-22-23)20(25)16-8-7-14-4-2-3-5-15(14)11-16;20-15-7-8-18(24)17(10-15)23-11-16(21-22-23)19(25)14-6-5-12-3-1-2-4-13(12)9-14;1-11-4-5-17(22)16(9-11)21-10-15(19-20-21)18(23)14-7-12(2)6-13(3)8-14;1-11-7-8-13(17)9-15(11)20-10-14(18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-13(17)9-14(11)20-15(10-18-19-20)16(21)12-5-3-2-4-6-12;1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2*2-12,24H,1H3;1-11,24H;4-10,22H,1-3H3;2*2-10H,1H3;2-10,20H,1H3.
What are the key properties of [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
[1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 2190.64 g/mol, XLogP of 23.90, 21 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-hydroxyphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;[3-(5-chloro-2-methylphenyl)triazol-4-yl]-phenylmethanone;(3,5-dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone;[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone;[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 160948608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).