1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole

C115H124Cl2F2N2O2S2 — CID 159945702

IUPAC1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1cccc(-c2cccs2)c1.CC(C)(C)c1ccccc1-c1cccc(Cl)c1.CC(C)(C)c1ccccc1-c1cccc(F)c1.CC(C)(C)c1ccccc1-c1ccccc1Cl.CC(C)(C)c1ccccc1-c1cccs1.CC(C)c1ccc(-c2cocn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccccc1-c1ccccc1F
InChIInChI=1S/2C16H17Cl.C16H17F.C15H15F.2C14H16S.2C12H13NO/c1-16(2,3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;2*1-16(2,3)15-10-5-4-9-14(15)12-7-6-8-13(17)11-12;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15(14)16;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3
InChIKeyOBLNBSWNPWBINQ-UHFFFAOYSA-N
MW1739.30 g/mol
LogP36.37
Rot. Bonds11

About 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole

1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole (PubChem CID 159945702) has the molecular formula C115H124Cl2F2N2O2S2 and a molecular weight of 1739.30 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole
PubChem CID159945702
Molecular FormulaC115H124Cl2F2N2O2S2
Molecular Weight1739.30 g/mol
Exact Mass1736.84
IUPAC Name1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole
SMILESCC(C)(C)c1cccc(-c2cccs2)c1.CC(C)(C)c1ccccc1-c1cccc(Cl)c1.CC(C)(C)c1ccccc1-c1cccc(F)c1.CC(C)(C)c1ccccc1-c1ccccc1Cl.CC(C)(C)c1ccccc1-c1cccs1.CC(C)c1ccc(-c2cocn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccccc1-c1ccccc1F
InChIInChI=1S/2C16H17Cl.C16H17F.C15H15F.2C14H16S.2C12H13NO/c1-16(2,3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;2*1-16(2,3)15-10-5-4-9-14(15)12-7-6-8-13(17)11-12;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15(14)16;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3
InChIKeyOBLNBSWNPWBINQ-UHFFFAOYSA-N
XLogP36.37
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms125
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001739.30
LogP ≤ 536.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole (CID 159945702) is 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole is CC(C)(C)c1cccc(-c2cccs2)c1.CC(C)(C)c1ccccc1-c1cccc(Cl)c1.CC(C)(C)c1ccccc1-c1cccc(F)c1.CC(C)(C)c1ccccc1-c1ccccc1Cl.CC(C)(C)c1ccccc1-c1cccs1.CC(C)c1ccc(-c2cocn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccccc1-c1ccccc1F.
What is the InChIKey of 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole?
The InChIKey is OBLNBSWNPWBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17Cl.C16H17F.C15H15F.2C14H16S.2C12H13NO/c1-16(2,3)14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;2*1-16(2,3)15-10-5-4-9-14(15)12-7-6-8-13(17)11-12;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15(14)16;1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(2)10-3-5-11(6-4-10)12-7-14-8-13-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*3-9H,1-2H3.
What are the key properties of 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole?
1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole has a molecular weight of 1739.30 g/mol, XLogP of 36.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 159945702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).