1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene

C181H202F9N3O3 — CID 159295676

IUPAC1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2C(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(C(C)(C)C)cc2)c1.COc1ccccc1-c1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/3C17H17F3.3C17H20O.2C17H20.3C15H17N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)17(18,19)20;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(18-4)12-8-14;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-4;1-17(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)18-4;1-13-6-5-7-15(12-13)14-8-10-16(11-9-14)17(2,3)4;1-13-7-5-6-8-16(13)14-9-11-15(12-10-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h3*4-11H,1-3H3;3*5-12H,1-4H3;2*5-12H,1-4H3;3*4-11H,1-3H3
InChIKeyLARMPXKEMMQBME-UHFFFAOYSA-N
MW2638.61 g/mol
LogP53.05
Rot. Bonds14

About 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene

1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 159295676) has the molecular formula C181H202F9N3O3 and a molecular weight of 2638.61 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID159295676
Molecular FormulaC181H202F9N3O3
Molecular Weight2638.61 g/mol
Exact Mass2636.56
IUPAC Name1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2C(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(C(C)(C)C)cc2)c1.COc1ccccc1-c1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/3C17H17F3.3C17H20O.2C17H20.3C15H17N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)17(18,19)20;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(18-4)12-8-14;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-4;1-17(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)18-4;1-13-6-5-7-15(12-13)14-8-10-16(11-9-14)17(2,3)4;1-13-7-5-6-8-16(13)14-9-11-15(12-10-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h3*4-11H,1-3H3;3*5-12H,1-4H3;2*5-12H,1-4H3;3*4-11H,1-3H3
InChIKeyLARMPXKEMMQBME-UHFFFAOYSA-N
XLogP53.05
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002638.61
LogP ≤ 553.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
16,16-Bis(3-methoxyphenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324440
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
3-[7-Methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129121
16,16-Bis(4-methoxyphenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324222
3-[6-(4-Fluorophenyl)-2-methoxynaphthalen-1-yl]pyridine
CID 44446303
3-[5-(4-Fluorophenyl)-6-methoxynaphthalen-2-yl]pyridine
CID 44446311

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene (CID 159295676) is 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene is CC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)c1ccc(-c2ccccc2C(F)(F)F)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(C(C)(C)C)cc2)c1.COc1ccccc1-c1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is LARMPXKEMMQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H17F3.3C17H20O.2C17H20.3C15H17N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18,19)20;1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(11-13)17(18,19)20;1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17(18,19)20;1-17(2,3)15-9-5-13(6-10-15)14-7-11-16(18-4)12-8-14;1-17(2,3)15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-4;1-17(2,3)14-11-9-13(10-12-14)15-7-5-6-8-16(15)18-4;1-13-6-5-7-15(12-13)14-8-10-16(11-9-14)17(2,3)4;1-13-7-5-6-8-16(13)14-9-11-15(12-10-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h3*4-11H,1-3H3;3*5-12H,1-4H3;2*5-12H,1-4H3;3*4-11H,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene?
1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 2638.61 g/mol, XLogP of 53.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyphenyl)benzene;1-tert-butyl-4-(3-methoxyphenyl)benzene;1-tert-butyl-4-(4-methoxyphenyl)benzene;1-tert-butyl-4-(2-methylphenyl)benzene;1-tert-butyl-4-(3-methylphenyl)benzene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-tert-butyl-4-[2-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[3-(trifluoromethyl)phenyl]benzene;1-tert-butyl-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 159295676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).