3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine

C161H157Cl5N8O17S3 — CID 160505635

IUPAC3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1cccnc1.COCc1cc(C(=O)N(C)C)ccc1-c1ccncc1.COCc1cc(Cl)ccc1-c1cccnc1.COCc1cc(Cl)ccc1-c1cccs1.COCc1cc(Cl)ccc1-c1ccncc1.COCc1sc(C)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ccc(-c2cccc(OC)c2)cc1.COc1cccc(-c2ccc(Cl)cc2)c1.COc1cccc(-c2cccc(Cl)c2)c1.COc1cccc(-c2ccccc2)c1.COc1cccc(-c2cccnc2)c1.COc1ccccc1-c1ccccc1
InChIInChI=1S/2C16H18N2O2.C14H14O2.2C13H12ClNO.2C13H11ClO.C13H15NO3S2.2C13H12O.C12H11ClOS.C12H11NO/c1-18(2)16(19)13-4-5-15(14(10-13)11-20-3)12-6-8-17-9-7-12;1-18(2)16(19)12-6-7-15(14(9-12)11-20-3)13-5-4-8-17-10-13;1-15-13-8-6-11(7-9-13)12-4-3-5-14(10-12)16-2;1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10;1-16-9-11-7-12(14)4-5-13(11)10-3-2-6-15-8-10;1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10;1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10;1-9-14-13(12(18-9)8-17-2)10-4-6-11(7-5-10)19(3,15)16;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-14-8-9-7-10(13)4-5-11(9)12-3-2-6-15-12;1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2*4-10H,11H2,1-3H3;3-10H,1-2H3;2*2-8H,9H2,1H3;2*2-9H,1H3;4-7H,8H2,1-3H3;2*2-10H,1H3;2-7H,8H2,1H3;2-9H,1H3
InChIKeyQSJAOUPOWUSFNO-UHFFFAOYSA-N
MW2749.53 g/mol
LogP40.06
Rot. Bonds34

About 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine

3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine (PubChem CID 160505635) has the molecular formula C161H157Cl5N8O17S3 and a molecular weight of 2749.53 g/mol. Its IUPAC name is 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine
PubChem CID160505635
Molecular FormulaC161H157Cl5N8O17S3
Molecular Weight2749.53 g/mol
Exact Mass2744.93
IUPAC Name3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine
SMILESCOCc1cc(C(=O)N(C)C)ccc1-c1cccnc1.COCc1cc(C(=O)N(C)C)ccc1-c1ccncc1.COCc1cc(Cl)ccc1-c1cccnc1.COCc1cc(Cl)ccc1-c1cccs1.COCc1cc(Cl)ccc1-c1ccncc1.COCc1sc(C)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ccc(-c2cccc(OC)c2)cc1.COc1cccc(-c2ccc(Cl)cc2)c1.COc1cccc(-c2cccc(Cl)c2)c1.COc1cccc(-c2ccccc2)c1.COc1cccc(-c2cccnc2)c1.COc1ccccc1-c1ccccc1
InChIInChI=1S/2C16H18N2O2.C14H14O2.2C13H12ClNO.2C13H11ClO.C13H15NO3S2.2C13H12O.C12H11ClOS.C12H11NO/c1-18(2)16(19)13-4-5-15(14(10-13)11-20-3)12-6-8-17-9-7-12;1-18(2)16(19)12-6-7-15(14(9-12)11-20-3)13-5-4-8-17-10-13;1-15-13-8-6-11(7-9-13)12-4-3-5-14(10-12)16-2;1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10;1-16-9-11-7-12(14)4-5-13(11)10-3-2-6-15-8-10;1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10;1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10;1-9-14-13(12(18-9)8-17-2)10-4-6-11(7-5-10)19(3,15)16;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-14-8-9-7-10(13)4-5-11(9)12-3-2-6-15-12;1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2*4-10H,11H2,1-3H3;3-10H,1-2H3;2*2-8H,9H2,1H3;2*2-9H,1H3;4-7H,8H2,1-3H3;2*2-10H,1H3;2-7H,8H2,1H3;2-9H,1H3
InChIKeyQSJAOUPOWUSFNO-UHFFFAOYSA-N
XLogP40.06
TPSA272.09 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002749.53
LogP ≤ 540.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine?
The IUPAC name of 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine (CID 160505635) is 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine.
What is the SMILES notation for 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine?
The canonical SMILES for 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine is COCc1cc(C(=O)N(C)C)ccc1-c1cccnc1.COCc1cc(C(=O)N(C)C)ccc1-c1ccncc1.COCc1cc(Cl)ccc1-c1cccnc1.COCc1cc(Cl)ccc1-c1cccs1.COCc1cc(Cl)ccc1-c1ccncc1.COCc1sc(C)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ccc(-c2cccc(OC)c2)cc1.COc1cccc(-c2ccc(Cl)cc2)c1.COc1cccc(-c2cccc(Cl)c2)c1.COc1cccc(-c2ccccc2)c1.COc1cccc(-c2cccnc2)c1.COc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine?
The InChIKey is QSJAOUPOWUSFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18N2O2.C14H14O2.2C13H12ClNO.2C13H11ClO.C13H15NO3S2.2C13H12O.C12H11ClOS.C12H11NO/c1-18(2)16(19)13-4-5-15(14(10-13)11-20-3)12-6-8-17-9-7-12;1-18(2)16(19)12-6-7-15(14(9-12)11-20-3)13-5-4-8-17-10-13;1-15-13-8-6-11(7-9-13)12-4-3-5-14(10-12)16-2;1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10;1-16-9-11-7-12(14)4-5-13(11)10-3-2-6-15-8-10;1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10;1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10;1-9-14-13(12(18-9)8-17-2)10-4-6-11(7-5-10)19(3,15)16;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-14-8-9-7-10(13)4-5-11(9)12-3-2-6-15-12;1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2*4-10H,11H2,1-3H3;3-10H,1-2H3;2*2-8H,9H2,1H3;2*2-9H,1H3;4-7H,8H2,1-3H3;2*2-10H,1H3;2-7H,8H2,1H3;2-9H,1H3.
What are the key properties of 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine?
3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine has a molecular weight of 2749.53 g/mol, XLogP of 40.06, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(methoxymethyl)phenyl]pyridine;4-[4-chloro-2-(methoxymethyl)phenyl]pyridine;2-[4-chloro-2-(methoxymethyl)phenyl]thiophene;1-chloro-3-(3-methoxyphenyl)benzene;1-chloro-4-(3-methoxyphenyl)benzene;1-methoxy-3-(4-methoxyphenyl)benzene;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-3-ylbenzamide;3-(methoxymethyl)-N,N-dimethyl-4-pyridin-4-ylbenzamide;5-(methoxymethyl)-2-methyl-4-(4-methylsulfonylphenyl)-1,3-thiazole;1-methoxy-2-phenylbenzene;1-methoxy-3-phenylbenzene;3-(3-methoxyphenyl)pyridine is sourced from PubChem (CID 160505635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).