bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine

C144H137BrCl5N9O15 — CID 165105819

IUPACbis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine
SMILESC.COc1c(C)ccc2ccccc12.COc1c(C)cccc1Br.COc1cc(C(=O)c2ccccc2)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc([N+](=O)[O-])ccc1C#N.COc1cccc(C)c1.COc1cccc(OC)c1C#N.Cc1ccc(-c2ccccc2)cc1Cl.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(Cl)cc1Cl.Cc1ccc2ccccc2c1Cl.[C-]#[N+]c1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H11NO2.C13H11Cl.C12H11N.C12H12O.C11H9Cl.C11H15Cl.2C10H9NO2.C9H6N2O.C9H9NO2.C8H9BrO.C8H6N2O3.C8H10O.C7H6Cl2.CH4/c1-18-14-9-12(7-8-13(14)10-16)15(17)11-5-3-2-4-6-11;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-9-7-8-10-5-3-4-6-11(10)12(9)13-2;1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-7(12)8-3-4-9(6-11)10(5-8)13-2;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-8-4-3-5-9(12-2)7(8)6-10;1-6-4-3-5-7(9)8(6)10-2;1-13-8-4-7(10(11)12)3-2-6(8)5-9;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;/h2-9H,1H3;2-9H,1H3;2-9H,1H3;3-8H,1-2H3;2-7H,1H3;5-7H,1-4H3;2*3-5H,1-2H3;3-5H,2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;3-6H,1-2H3;2-4H,1H3;1H4
InChIKeyZCIMVHOIWPLRLA-UHFFFAOYSA-N
MW2490.90 g/mol
LogP38.49
Rot. Bonds17

About bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine

bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine (PubChem CID 165105819) has the molecular formula C144H137BrCl5N9O15 and a molecular weight of 2490.90 g/mol. Its IUPAC name is bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine.

Molecular Properties

Compound Namebis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine
PubChem CID165105819
Molecular FormulaC144H137BrCl5N9O15
Molecular Weight2490.90 g/mol
Exact Mass2485.79
IUPAC Namebis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine
SMILESC.COc1c(C)ccc2ccccc12.COc1c(C)cccc1Br.COc1cc(C(=O)c2ccccc2)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc([N+](=O)[O-])ccc1C#N.COc1cccc(C)c1.COc1cccc(OC)c1C#N.Cc1ccc(-c2ccccc2)cc1Cl.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(Cl)cc1Cl.Cc1ccc2ccccc2c1Cl.[C-]#[N+]c1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H11NO2.C13H11Cl.C12H11N.C12H12O.C11H9Cl.C11H15Cl.2C10H9NO2.C9H6N2O.C9H9NO2.C8H9BrO.C8H6N2O3.C8H10O.C7H6Cl2.CH4/c1-18-14-9-12(7-8-13(14)10-16)15(17)11-5-3-2-4-6-11;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-9-7-8-10-5-3-4-6-11(10)12(9)13-2;1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-7(12)8-3-4-9(6-11)10(5-8)13-2;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-8-4-3-5-9(12-2)7(8)6-10;1-6-4-3-5-7(9)8(6)10-2;1-13-8-4-7(10(11)12)3-2-6(8)5-9;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;/h2-9H,1H3;2-9H,1H3;2-9H,1H3;3-8H,1-2H3;2-7H,1H3;5-7H,1-4H3;2*3-5H,1-2H3;3-5H,2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;3-6H,1-2H3;2-4H,1H3;1H4
InChIKeyZCIMVHOIWPLRLA-UHFFFAOYSA-N
XLogP38.49
TPSA346.64 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002490.90
LogP ≤ 538.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine with MolForge

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Related Compounds

1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol
CID 157238591
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;(2,3-dimethoxy-5-methylphenyl)methanol;1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(3-methoxy-5-methylphenyl)methanol;(4-methoxy-3-methylphenyl)methanol;1-methyl-2-nitrobenzene;1-methyl-3-nitrobenzene;1-methyl-4-nitrobenzene;1-(4-methylphenyl)ethanone;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2,4-trimethylbenzene);1,2-xylene;1,4-xylene
CID 157475874
1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
CID 161237326
1-bromo-2,4-dimethylbenzene;4-chloro-1-methoxy-2-methylbenzene;1-chloro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-1-methyl-4-nitrobenzene;4-methylaniline;5-methyl-1,3-benzodioxole;3-methylbenzonitrile;5-methyl-2,3-dihydro-1H-indene;1-methyl-2-methylsulfanylbenzene;1-methyl-3-methylsulfanylbenzene;1-methylnaphthalene;1-methyl-4-phenoxybenzene;1-(3-methylphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);1-methyl-4-propan-2-ylbenzene;1-phenylethanone;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 158517940
2-bromophenol;3-bromophenol;4-bromophenol;bis(carbon dioxide);2-chloro-4-nitrophenol;3-chloro-4-nitrophenol;2-chlorophenol;3-chlorophenol;4-chlorophenol;2-hydroxybenzaldehyde;2-hydroxybenzonitrile;(2-hydroxyphenyl) acetate;3-isocyanophenol;4-isocyanophenol;3-methoxyphenol;4-methoxyphenol;3-methylphenol;4-methylphenol;2-nitrophenol;3-nitrophenol;4-nitrophenol
CID 161351869
3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine
CID 158116307
1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone
CID 158243444
1-[3-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 79168562
1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene
CID 158132978
1-(5-methoxynaphthalen-1-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone;1-(3-methoxyphenyl)ethanone;bis(1-(4-methoxyphenyl)ethanone);1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 159692280
1-chloro-4-methylbenzene;2,4-dimethylaniline;1-fluoro-4-methylbenzene;1-fluoro-4-(3-methylphenoxy)benzene;1-isocyano-4-methylbenzene;1-(isocyanomethyl)-3-methylbenzene;1-(isocyanomethyl)-4-methylbenzene;methane;1-methoxy-3-methylbenzene;N-(4-methylphenyl)acetamide;1-methyl-3-phenylbenzene;2-(3-methylphenyl)ethanol;1-(3-methylphenyl)ethanone;(3-methylphenyl)methanol;toluene;1,3-xylene;bis(1,4-xylene)
CID 158680054
benzoic acid;3,4-dimethoxybenzoic acid;4-hydroxy-3,5-dimethoxybenzoic acid;3-methoxybenzoic acid;3-methoxy-4-methylbenzoic acid;4-methylbenzoic acid;3,4,5-trimethoxybenzoic acid
CID 160911444

Frequently Asked Questions

What is the IUPAC name of bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine?
The IUPAC name of bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine (CID 165105819) is bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine.
What is the SMILES notation for bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine?
The canonical SMILES for bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine is C.COc1c(C)ccc2ccccc12.COc1c(C)cccc1Br.COc1cc(C(=O)c2ccccc2)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc(C(C)=O)ccc1C#N.COc1cc([N+](=O)[O-])ccc1C#N.COc1cccc(C)c1.COc1cccc(OC)c1C#N.Cc1ccc(-c2ccccc2)cc1Cl.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(Cl)cc1Cl.Cc1ccc2ccccc2c1Cl.[C-]#[N+]c1ccc(C#N)c(OC)c1.
What is the InChIKey of bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine?
The InChIKey is ZCIMVHOIWPLRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2.C13H11Cl.C12H11N.C12H12O.C11H9Cl.C11H15Cl.2C10H9NO2.C9H6N2O.C9H9NO2.C8H9BrO.C8H6N2O3.C8H10O.C7H6Cl2.CH4/c1-18-14-9-12(7-8-13(14)10-16)15(17)11-5-3-2-4-6-11;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-9-7-8-10-5-3-4-6-11(10)12(9)13-2;1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-7(12)8-3-4-9(6-11)10(5-8)13-2;1-11-8-4-3-7(6-10)9(5-8)12-2;1-11-8-4-3-5-9(12-2)7(8)6-10;1-6-4-3-5-7(9)8(6)10-2;1-13-8-4-7(10(11)12)3-2-6(8)5-9;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)4-7(5)9;/h2-9H,1H3;2-9H,1H3;2-9H,1H3;3-8H,1-2H3;2-7H,1H3;5-7H,1-4H3;2*3-5H,1-2H3;3-5H,2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;3-6H,1-2H3;2-4H,1H3;1H4.
What are the key properties of bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine?
bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine has a molecular weight of 2490.90 g/mol, XLogP of 38.49, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-acetyl-2-methoxybenzonitrile);4-benzoyl-2-methoxybenzonitrile;1-bromo-2-methoxy-3-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;1-chloro-2-methylnaphthalene;2-chloro-1-methyl-4-phenylbenzene;2,4-dichloro-1-methylbenzene;2,6-dimethoxybenzonitrile;4-isocyano-2-methoxybenzonitrile;methane;1-methoxy-3-methylbenzene;1-methoxy-2-methylnaphthalene;2-methoxy-4-nitrobenzonitrile;3-(4-methylphenyl)pyridine is sourced from PubChem (CID 165105819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).