2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate

C63H62Cl12N6O13 — CID 161192351

About 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate

2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate (PubChem CID 161192351) has the molecular formula C63H62Cl12N6O13 and a molecular weight of 1536.65 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate.

Molecular Properties

• Compound Name: 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate
• PubChem CID: 161192351
• Molecular Formula: C63H62Cl12N6O13
• Molecular Weight: 1536.65 g/mol
• Exact Mass: 1530.06
• IUPAC Name: 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate
• SMILES: CC(C)c1cc(Cl)nnc1Cl.CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nnc1Cl.CC(C)c1cc(Oc2c(Cl)cc(CCO)cc2Cl)nnc1Cl.COC(=O)Cc1cc(Cl)c(O)c(Cl)c1.COC(=O)Cc1ccc(O)cc1.OCCc1cc(Cl)c(O)c(Cl)c1
• InChI: InChI=1S/C15H13Cl3N2O3.C15H15Cl3N2O2.C9H8Cl2O3.C9H10O3.C8H8Cl2O2.C7H8Cl2N2/c1-7(2)9-6-12(19-20-15(9)18)23-14-10(16)3-8(4-11(14)17)5-13(21)22;1-8(2)10-7-13(19-20-15(10)18)22-14-11(16)5-9(3-4-21)6-12(14)17;1-14-8(12)4-5-2-6(10)9(13)7(11)3-5;1-12-9(11)6-7-2-4-8(10)5-3-7;9-6-3-5(1-2-11)4-7(10)8(6)12;1-4(2)5-3-6(8)10-11-7(5)9/h3-4,6-7H,5H2,1-2H3,(H,21,22);5-8,21H,3-4H2,1-2H3;2-3,13H,4H2,1H3;2-5,10H,6H2,1H3;3-4,11-12H,1-2H2;3-4H,1-2H3
• InChIKey: UTWVASAEWDNVCO-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 286.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1536.65
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate?

The IUPAC name of 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate (CID 161192351) is 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate.

What is the SMILES notation for 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate?

The canonical SMILES for 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate is CC(C)c1cc(Cl)nnc1Cl.CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)nnc1Cl.CC(C)c1cc(Oc2c(Cl)cc(CCO)cc2Cl)nnc1Cl.COC(=O)Cc1cc(Cl)c(O)c(Cl)c1.COC(=O)Cc1ccc(O)cc1.OCCc1cc(Cl)c(O)c(Cl)c1.

What is the InChIKey of 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate?

The InChIKey is UTWVASAEWDNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O3.C15H15Cl3N2O2.C9H8Cl2O3.C9H10O3.C8H8Cl2O2.C7H8Cl2N2/c1-7(2)9-6-12(19-20-15(9)18)23-14-10(16)3-8(4-11(14)17)5-13(21)22;1-8(2)10-7-13(19-20-15(10)18)22-14-11(16)5-9(3-4-21)6-12(14)17;1-14-8(12)4-5-2-6(10)9(13)7(11)3-5;1-12-9(11)6-7-2-4-8(10)5-3-7;9-6-3-5(1-2-11)4-7(10)8(6)12;1-4(2)5-3-6(8)10-11-7(5)9/h3-4,6-7H,5H2,1-2H3,(H,21,22);5-8,21H,3-4H2,1-2H3;2-3,13H,4H2,1H3;2-5,10H,6H2,1H3;3-4,11-12H,1-2H2;3-4H,1-2H3.

What are the key properties of 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate?

2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate has a molecular weight of 1536.65 g/mol, XLogP of 18.53, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]acetic acid;2-[3,5-dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxyphenyl]ethanol;2,6-dichloro-4-(2-hydroxyethyl)phenol;3,6-dichloro-4-propan-2-ylpyridazine;methyl 2-(3,5-dichloro-4-hydroxyphenyl)acetate;methyl 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 161192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).