1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane

C101H143F3O — CID 159836033

IUPAC1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane
SMILESC.CC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)Cc1cccc(-c2ccccc2)c1.Cc1ccc(C)c(CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1C.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/2C17H20.C15H24.3C13H20.C12H15F3O.CH4/c1-17(2,3)13-14-8-7-11-16(12-14)15-9-5-4-6-10-15;1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;2*1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-10-6-7-11(2)12(8-10)9-13(3,4)5;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;/h2*4-12H,13H2,1-3H3;7-10H,11H2,1-6H3;3*6-8H,9H2,1-5H3;4-7H,8H2,1-3H3;1H4
InChIKeyNOBWQWARSQKYSF-UHFFFAOYSA-N
MW1430.25 g/mol
LogP30.94
Rot. Bonds10

About 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane

1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane (PubChem CID 159836033) has the molecular formula C101H143F3O and a molecular weight of 1430.25 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane
PubChem CID159836033
Molecular FormulaC101H143F3O
Molecular Weight1430.25 g/mol
Exact Mass1429.11
IUPAC Name1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane
SMILESC.CC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)Cc1cccc(-c2ccccc2)c1.Cc1ccc(C)c(CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1C.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/2C17H20.C15H24.3C13H20.C12H15F3O.CH4/c1-17(2,3)13-14-8-7-11-16(12-14)15-9-5-4-6-10-15;1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;2*1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-10-6-7-11(2)12(8-10)9-13(3,4)5;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;/h2*4-12H,13H2,1-3H3;7-10H,11H2,1-6H3;3*6-8H,9H2,1-5H3;4-7H,8H2,1-3H3;1H4
InChIKeyNOBWQWARSQKYSF-UHFFFAOYSA-N
XLogP30.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001430.25
LogP ≤ 530.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracene;2-(4-methylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethoxy)phenyl]anthracene;9-(4-methylphenyl)-10-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene;10-naphthalen-2-yl-2-[4-(trifluoromethoxy)phenyl]-9-[3-(trifluoromethyl)phenyl]anthracene
CID 157153963
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol
CID 58007706
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
1,3-ditert-butylbenzene;1,5-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(4-methylphenyl)methyl]benzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159528182
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
acetic acid;1,4-bis(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenoxy]benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenyl]benzene;methane
CID 159068746
(E)-3-[2-[4-(2,2-dimethylpropyl)phenoxy]-4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 89139566

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane?
The IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane (CID 159836033) is 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane?
The canonical SMILES for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane is C.CC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)Cc1cccc(-c2ccccc2)c1.Cc1ccc(C)c(CC(C)(C)C)c1.Cc1ccc(CC(C)(C)C)cc1C.Cc1ccc(CC(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane?
The InChIKey is NOBWQWARSQKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20.C15H24.3C13H20.C12H15F3O.CH4/c1-17(2,3)13-14-8-7-11-16(12-14)15-9-5-4-6-10-15;1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;2*1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-10-6-7-11(2)12(8-10)9-13(3,4)5;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;/h2*4-12H,13H2,1-3H3;7-10H,11H2,1-6H3;3*6-8H,9H2,1-5H3;4-7H,8H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane?
1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane has a molecular weight of 1430.25 g/mol, XLogP of 30.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1,4-dimethylbenzene;bis(4-(2,2-dimethylpropyl)-1,2-dimethylbenzene);1-(2,2-dimethylpropyl)-3-phenylbenzene;1-(2,2-dimethylpropyl)-4-phenylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;methane is sourced from PubChem (CID 159836033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).