4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene

C126H123Cl2F6N3O17 — CID 157426378

IUPAC4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCOC(c1ccc(C(=O)N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(C)cc1)c1ccc(C)cc1.COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(F)cc1)c1ccc(F)cc1.COC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H24N2O3.C17H18FNO2.C16H14O5.C16H18O.C15H13FO3.C14H12Cl2O.2C14H12F2O/c1-21(2)19(23)16-10-6-14(7-11-16)18(25-5)15-8-12-17(13-9-15)20(24)22(3)4;1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13;1-21-14(10-2-6-12(7-3-10)15(17)18)11-4-8-13(9-5-11)16(19)20;1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15;1-19-14(11-6-8-13(16)9-7-11)10-2-4-12(5-3-10)15(17)18;2*1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11;1-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h6-13,18H,1-5H3;4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18)(H,19,20);4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18);3*2-9,14H,1H3
InChIKeyBPZUWYUCKDNMCQ-UHFFFAOYSA-N
MW2136.27 g/mol
LogP28.34
Rot. Bonds30

About 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene

4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene (PubChem CID 157426378) has the molecular formula C126H123Cl2F6N3O17 and a molecular weight of 2136.27 g/mol. Its IUPAC name is 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene
PubChem CID157426378
Molecular FormulaC126H123Cl2F6N3O17
Molecular Weight2136.27 g/mol
Exact Mass2133.81
IUPAC Name4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene
SMILESCOC(c1ccc(C(=O)N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(C)cc1)c1ccc(C)cc1.COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(F)cc1)c1ccc(F)cc1.COC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H24N2O3.C17H18FNO2.C16H14O5.C16H18O.C15H13FO3.C14H12Cl2O.2C14H12F2O/c1-21(2)19(23)16-10-6-14(7-11-16)18(25-5)15-8-12-17(13-9-15)20(24)22(3)4;1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13;1-21-14(10-2-6-12(7-3-10)15(17)18)11-4-8-13(9-5-11)16(19)20;1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15;1-19-14(11-6-8-13(16)9-7-11)10-2-4-12(5-3-10)15(17)18;2*1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11;1-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h6-13,18H,1-5H3;4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18)(H,19,20);4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18);3*2-9,14H,1H3
InChIKeyBPZUWYUCKDNMCQ-UHFFFAOYSA-N
XLogP28.34
TPSA246.67 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.27
LogP ≤ 528.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene with MolForge

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Related Compounds

4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706
3-fluoro-5-[methoxy(phenyl)methyl]benzoic acid
CID 164527252
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
cumene;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 164524639
4-(3-fluoro-N-methylanilino)-3-methylbenzoic acid
CID 62120793
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
4-[[1-(3-fluorophenyl)ethyl-methylamino]methyl]benzoic acid
CID 65056307
3-[2-aminoethoxy-(4-methylphenyl)methyl]benzoic acid
CID 68723668
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one
CID 159195978
4-(4-chlorophenyl)-2-(3-fluorophenyl)-4-oxobutanoic acid
CID 2764251
4-chlorobenzoic acid;fluoromethane
CID 174932068

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene (CID 157426378) is 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene is COC(c1ccc(C(=O)N(C)C)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(C)cc1)c1ccc(C)cc1.COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1ccc(C(=O)O)cc1.COC(c1ccc(F)cc1)c1ccc(F)cc1.COC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is BPZUWYUCKDNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.C17H18FNO2.C16H14O5.C16H18O.C15H13FO3.C14H12Cl2O.2C14H12F2O/c1-21(2)19(23)16-10-6-14(7-11-16)18(25-5)15-8-12-17(13-9-15)20(24)22(3)4;1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13;1-21-14(10-2-6-12(7-3-10)15(17)18)11-4-8-13(9-5-11)16(19)20;1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15;1-19-14(11-6-8-13(16)9-7-11)10-2-4-12(5-3-10)15(17)18;2*1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11;1-17-14(10-4-2-6-12(15)8-10)11-5-3-7-13(16)9-11/h6-13,18H,1-5H3;4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18)(H,19,20);4-11,16H,1-3H3;2-9,14H,1H3,(H,17,18);3*2-9,14H,1H3.
What are the key properties of 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene?
4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 2136.27 g/mol, XLogP of 28.34, 30 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxyphenyl)-methoxymethyl]benzoic acid;1-chloro-4-[(4-chlorophenyl)-methoxymethyl]benzene;4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide;1-fluoro-3-[(3-fluorophenyl)-methoxymethyl]benzene;1-fluoro-4-[(4-fluorophenyl)-methoxymethyl]benzene;4-[(4-fluorophenyl)-methoxymethyl]benzoic acid;4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;1-[methoxy-(4-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 157426378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).