1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine

C128H136ClF3N4OS — CID 159858441

IUPAC1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(Cl)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C17H18N2.C16H18O.2C15H15F.C15H16.2C14H15N.C13H13FS.C9H11Cl/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-7(2)8-4-3-5-9(10)6-8/h4-12H,1-3H3;4-12H,1-3H3;2*3-11H,1-2H3;3-12H,1-2H3;2*3-11H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeyNQVGEULBWJWWGU-UHFFFAOYSA-N
MW1871.04 g/mol
LogP38.44
Rot. Bonds18

About 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine

1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine (PubChem CID 159858441) has the molecular formula C128H136ClF3N4OS and a molecular weight of 1871.04 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine
PubChem CID159858441
Molecular FormulaC128H136ClF3N4OS
Molecular Weight1871.04 g/mol
Exact Mass1869.01
IUPAC Name1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(Cl)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C17H18N2.C16H18O.2C15H15F.C15H16.2C14H15N.C13H13FS.C9H11Cl/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-7(2)8-4-3-5-9(10)6-8/h4-12H,1-3H3;4-12H,1-3H3;2*3-11H,1-2H3;3-12H,1-2H3;2*3-11H,1-2H3;3-9H,1-2H3;3-7H,1-2H3
InChIKeyNQVGEULBWJWWGU-UHFFFAOYSA-N
XLogP38.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001871.04
LogP ≤ 538.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine (CID 159858441) is 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine is CC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1cccc(-c2ccc(F)cc2)c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(Cl)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine?
The InChIKey is NQVGEULBWJWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C16H18O.2C15H15F.C15H16.2C14H15N.C13H13FS.C9H11Cl/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)13-4-3-5-14(10-13)12-6-8-15(16)9-7-12;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-7(2)8-4-3-5-9(10)6-8/h4-12H,1-3H3;4-12H,1-3H3;2*3-11H,1-2H3;3-12H,1-2H3;2*3-11H,1-2H3;3-9H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine?
1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine has a molecular weight of 1871.04 g/mol, XLogP of 38.44, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-4-(3-propan-2-ylphenyl)benzene;1-methoxy-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;1-phenyl-3-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 159858441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).