sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide

C75H76BrCl2NaO11P2Pd — CID 157132204

IUPACsodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide
SMILESC#CCCC.CCCc1cc2ccc(C(=O)O)cc2o1.CCCc1cc2ccc(C(=O)OC)cc2o1.CO.COC(=O)c1ccc(Br)c(O)c1.Cl[Pd]Cl.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C13H14O3.C12H12O3.C8H7BrO3.C5H8.CH4O.2ClH.Na.H2O.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-11-7-9-5-6-10(13(14)15-2)8-12(9)16-11;1-2-3-10-6-8-4-5-9(12(13)14)7-11(8)15-10;1-12-8(11)5-2-3-6(9)7(10)4-5;1-3-5-4-2;1-2;;;;;/h2*1-15H;5-8H,3-4H2,1-2H3;4-7H,2-3H2,1H3,(H,13,14);2-4,10H,1H3;1H,4-5H2,2H3;2H,1H3;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3
InChIKeyAJEYOMBBXMZVQS-UHFFFAOYSA-K
MW1495.59 g/mol
LogP14.32
Rot. Bonds14

About sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide

sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide (PubChem CID 157132204) has the molecular formula C75H76BrCl2NaO11P2Pd and a molecular weight of 1495.59 g/mol. Its IUPAC name is sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide.

Molecular Properties

Compound Namesodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide
PubChem CID157132204
Molecular FormulaC75H76BrCl2NaO11P2Pd
Molecular Weight1495.59 g/mol
Exact Mass1492.24
IUPAC Namesodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide
SMILESC#CCCC.CCCc1cc2ccc(C(=O)O)cc2o1.CCCc1cc2ccc(C(=O)OC)cc2o1.CO.COC(=O)c1ccc(Br)c(O)c1.Cl[Pd]Cl.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C13H14O3.C12H12O3.C8H7BrO3.C5H8.CH4O.2ClH.Na.H2O.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-11-7-9-5-6-10(13(14)15-2)8-12(9)16-11;1-2-3-10-6-8-4-5-9(12(13)14)7-11(8)15-10;1-12-8(11)5-2-3-6(9)7(10)4-5;1-3-5-4-2;1-2;;;;;/h2*1-15H;5-8H,3-4H2,1-2H3;4-7H,2-3H2,1H3,(H,13,14);2-4,10H,1H3;1H,4-5H2,2H3;2H,1H3;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3
InChIKeyAJEYOMBBXMZVQS-UHFFFAOYSA-K
XLogP14.32
TPSA186.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001495.59
LogP ≤ 514.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
CID 23655159
methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
CID 58897575
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
2-(methylaminomethyl)-1-benzofuran-6-carboxylic acid
CID 117179444
2-[2-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]ethyl]-1-benzofuran-6-carboxylic acid
CID 167772979
2-(2-propyl-1-benzofuran-6-yl)acetic acid
CID 70578535
2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179456
4-diphenylphosphanyl-3-hydroxybenzoic acid
CID 101171286
6-bromonaphthalene-2-carboxylic acid;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 160725400
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
methyl 4-bromo-3-hydroxybenzoate;methyl 4-bromo-3-[2-(3-methylphenyl)ethoxy]benzoate
CID 67076564
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068

Frequently Asked Questions

What is the IUPAC name of sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide?
The IUPAC name of sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide (CID 157132204) is sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide.
What is the SMILES notation for sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide?
The canonical SMILES for sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide is C#CCCC.CCCc1cc2ccc(C(=O)O)cc2o1.CCCc1cc2ccc(C(=O)OC)cc2o1.CO.COC(=O)c1ccc(Br)c(O)c1.Cl[Pd]Cl.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide?
The InChIKey is AJEYOMBBXMZVQS-UHFFFAOYSA-K. The full InChI is InChI=1S/2C18H15P.C13H14O3.C12H12O3.C8H7BrO3.C5H8.CH4O.2ClH.Na.H2O.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-11-7-9-5-6-10(13(14)15-2)8-12(9)16-11;1-2-3-10-6-8-4-5-9(12(13)14)7-11(8)15-10;1-12-8(11)5-2-3-6(9)7(10)4-5;1-3-5-4-2;1-2;;;;;/h2*1-15H;5-8H,3-4H2,1-2H3;4-7H,2-3H2,1H3,(H,13,14);2-4,10H,1H3;1H,4-5H2,2H3;2H,1H3;2*1H;;1H2;/q;;;;;;;;;+1;;+2/p-3.
What are the key properties of sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide?
sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide has a molecular weight of 1495.59 g/mol, XLogP of 14.32, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide is sourced from PubChem (CID 157132204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).