3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone

C142H162Cl2N10O3 — CID 159144944

IUPAC3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccnc2C(C)C)ccc1Cl.CC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CCc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)cc1.Cc1cccc(-c2cccnc2C(C)C)c1.Cc1ccccc1-c1ccnc(C(C)C)n1
InChIInChI=1S/C18H23N.2C17H21N.C16H16ClNO.C16H17NO.C15H17NO.C15H17N.C14H14ClN.C14H16N2/c1-6-15-10-13(4)17(14(5)11-15)16-8-7-9-19-18(16)12(2)3;2*1-5-14-8-9-15(13(4)11-14)16-7-6-10-18-17(16)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(17-3)9-7-12;1-11(2)15-14(8-5-9-16-15)13-7-4-6-12(3)10-13;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11;1-10(2)14-15-9-8-13(16-14)12-7-5-4-6-11(12)3/h7-12H,6H2,1-5H3;2*6-12H,5H2,1-4H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3;4-10H,1-3H3
InChIKeyKIOGJKXKVAWELU-UHFFFAOYSA-N
MW2127.83 g/mol
LogP39.50
Rot. Bonds24

About 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone

3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone (PubChem CID 159144944) has the molecular formula C142H162Cl2N10O3 and a molecular weight of 2127.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
PubChem CID159144944
Molecular FormulaC142H162Cl2N10O3
Molecular Weight2127.83 g/mol
Exact Mass2125.22
IUPAC Name3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccnc2C(C)C)ccc1Cl.CC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CCc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)cc1.Cc1cccc(-c2cccnc2C(C)C)c1.Cc1ccccc1-c1ccnc(C(C)C)n1
InChIInChI=1S/C18H23N.2C17H21N.C16H16ClNO.C16H17NO.C15H17NO.C15H17N.C14H14ClN.C14H16N2/c1-6-15-10-13(4)17(14(5)11-15)16-8-7-9-19-18(16)12(2)3;2*1-5-14-8-9-15(13(4)11-14)16-7-6-10-18-17(16)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(17-3)9-7-12;1-11(2)15-14(8-5-9-16-15)13-7-4-6-12(3)10-13;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11;1-10(2)14-15-9-8-13(16-14)12-7-5-4-6-11(12)3/h7-12H,6H2,1-5H3;2*6-12H,5H2,1-4H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3;4-10H,1-3H3
InChIKeyKIOGJKXKVAWELU-UHFFFAOYSA-N
XLogP39.50
TPSA172.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.83
LogP ≤ 539.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone?
The IUPAC name of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone (CID 159144944) is 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone?
The canonical SMILES for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone is CC(=O)c1cc(-c2cccnc2C(C)C)ccc1Cl.CC(=O)c1cccc(-c2cccnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(Cl)cc1.CCc1cc(C)c(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.CCc1ccc(-c2cccnc2C(C)C)c(C)c1.COc1ccc(-c2cccnc2C(C)C)cc1.Cc1cccc(-c2cccnc2C(C)C)c1.Cc1ccccc1-c1ccnc(C(C)C)n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone?
The InChIKey is KIOGJKXKVAWELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.2C17H21N.C16H16ClNO.C16H17NO.C15H17NO.C15H17N.C14H14ClN.C14H16N2/c1-6-15-10-13(4)17(14(5)11-15)16-8-7-9-19-18(16)12(2)3;2*1-5-14-8-9-15(13(4)11-14)16-7-6-10-18-17(16)12(2)3;1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-11(2)16-15(8-5-9-17-16)14-7-4-6-13(10-14)12(3)18;1-11(2)15-14(5-4-10-16-15)12-6-8-13(17-3)9-7-12;1-11(2)15-14(8-5-9-16-15)13-7-4-6-12(3)10-13;1-10(2)14-13(4-3-9-16-14)11-5-7-12(15)8-6-11;1-10(2)14-15-9-8-13(16-14)12-7-5-4-6-11(12)3/h7-12H,6H2,1-5H3;2*6-12H,5H2,1-4H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;3-10H,1-2H3;4-10H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone?
3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone has a molecular weight of 2127.83 g/mol, XLogP of 39.50, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-propan-2-ylpyridine;1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-ethyl-2,6-dimethylphenyl)-2-propan-2-ylpyridine;bis(3-(4-ethyl-2-methylphenyl)-2-propan-2-ylpyridine);3-(4-methoxyphenyl)-2-propan-2-ylpyridine;3-(3-methylphenyl)-2-propan-2-ylpyridine;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 159144944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).