2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

C65H85Cl2F6NO4 — CID 158581394

IUPAC2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.Cc1cc(CC(C)C)cc(C)c1O
InChIInChI=1S/C12H18O.2C11H13F3.C11H15NO.C10H12Cl2O.C10H14O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-8(2)7-9-3-5-10(11)6-4-9/h6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;3-6,8,11H,7H2,1-2H3
InChIKeyHTHHPLGFUWCJEB-UHFFFAOYSA-N
MW1129.29 g/mol
LogP19.49
Rot. Bonds13

About 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 158581394) has the molecular formula C65H85Cl2F6NO4 and a molecular weight of 1129.29 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
PubChem CID158581394
Molecular FormulaC65H85Cl2F6NO4
Molecular Weight1129.29 g/mol
Exact Mass1127.58
IUPAC Name2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.Cc1cc(CC(C)C)cc(C)c1O
InChIInChI=1S/C12H18O.2C11H13F3.C11H15NO.C10H12Cl2O.C10H14O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-8(2)7-9-3-5-10(11)6-4-9/h6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;3-6,8,11H,7H2,1-2H3
InChIKeyHTHHPLGFUWCJEB-UHFFFAOYSA-N
XLogP19.49
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.29
LogP ≤ 519.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (CID 158581394) is 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is CC(C)Cc1cc(Cl)c(O)c(Cl)c1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)Cc1cccc(C(N)=O)c1.Cc1cc(CC(C)C)cc(C)c1O.
What is the InChIKey of 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is HTHHPLGFUWCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.2C11H13F3.C11H15NO.C10H12Cl2O.C10H14O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11;1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13;1-6(2)3-7-4-8(11)10(13)9(12)5-7;1-8(2)7-9-3-5-10(11)6-4-9/h6-8,13H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,12,13);4-6,13H,3H2,1-2H3;3-6,8,11H,7H2,1-2H3.
What are the key properties of 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 1129.29 g/mol, XLogP of 19.49, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158581394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).