2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one

C176H184Cl2F3NO11S — CID 157463089

IUPAC2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one
SMILESCC(C)(C)c1cccc(-c2cccccc2=O)c1CO.CC(C)(C)c1cccc(-c2cccccc2=O)c1CS.CC(C)(C)c1cccc(-c2cccccc2=O)c1Cl.CC(C)(C)c1cccc(-c2cccccc2=O)c1F.CC(C)(C)c1ccccc(-c2ccccc2C#N)c1=O.CC(C)(C)c1ccccc(-c2ccccc2Cl)c1=O.CC(C)(C)c1ccccc(-c2ccccc2F)c1=O.Cc1ccc(-c2ccccc(C(C)(C)C)c2=O)c(F)c1.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O
InChIInChI=1S/C18H19FO.C18H17NO.C18H20O2.C18H20OS.2C18H20O.2C17H17ClO.2C17H17FO/c1-12-9-10-13(16(19)11-12)14-7-5-6-8-15(17(14)20)18(2,3)4;1-18(2,3)16-11-7-6-10-15(17(16)20)14-9-5-4-8-13(14)12-19;1-18(2,3)16-10-7-9-13(15(16)12-19)14-8-5-4-6-11-17(14)20;1-18(2,3)16-10-7-9-13(15(16)12-20)14-8-5-4-6-11-17(14)19;2*1-13-9-5-6-10-14(13)15-11-7-8-12-16(17(15)19)18(2,3)4;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19/h5-11H,1-4H3;4-11H,1-3H3;4-11,19H,12H2,1-3H3;4-11,20H,12H2,1-3H3;2*5-12H,1-4H3;4*4-11H,1-3H3
InChIKeyBUDUDHWFGJUELI-UHFFFAOYSA-N
MW2649.37 g/mol
LogP42.56
Rot. Bonds12

About 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one

2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one (PubChem CID 157463089) has the molecular formula C176H184Cl2F3NO11S and a molecular weight of 2649.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one
PubChem CID157463089
Molecular FormulaC176H184Cl2F3NO11S
Molecular Weight2649.37 g/mol
Exact Mass2646.29
IUPAC Name2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one
SMILESCC(C)(C)c1cccc(-c2cccccc2=O)c1CO.CC(C)(C)c1cccc(-c2cccccc2=O)c1CS.CC(C)(C)c1cccc(-c2cccccc2=O)c1Cl.CC(C)(C)c1cccc(-c2cccccc2=O)c1F.CC(C)(C)c1ccccc(-c2ccccc2C#N)c1=O.CC(C)(C)c1ccccc(-c2ccccc2Cl)c1=O.CC(C)(C)c1ccccc(-c2ccccc2F)c1=O.Cc1ccc(-c2ccccc(C(C)(C)C)c2=O)c(F)c1.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O
InChIInChI=1S/C18H19FO.C18H17NO.C18H20O2.C18H20OS.2C18H20O.2C17H17ClO.2C17H17FO/c1-12-9-10-13(16(19)11-12)14-7-5-6-8-15(17(14)20)18(2,3)4;1-18(2,3)16-11-7-6-10-15(17(16)20)14-9-5-4-8-13(14)12-19;1-18(2,3)16-10-7-9-13(15(16)12-19)14-8-5-4-6-11-17(14)20;1-18(2,3)16-10-7-9-13(15(16)12-20)14-8-5-4-6-11-17(14)19;2*1-13-9-5-6-10-14(13)15-11-7-8-12-16(17(15)19)18(2,3)4;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19/h5-11H,1-4H3;4-11H,1-3H3;4-11,19H,12H2,1-3H3;4-11,20H,12H2,1-3H3;2*5-12H,1-4H3;4*4-11H,1-3H3
InChIKeyBUDUDHWFGJUELI-UHFFFAOYSA-N
XLogP42.56
TPSA214.72 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.37
LogP ≤ 542.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(3-Tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-methoxy-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)-5-methylbenzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one;methane
CID 160216167
2-Tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;1-(3-tert-butyl-2-chlorophenyl)-7-methylidenecyclohepta-1,3,5-triene;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;1-(3-tert-butyl-2-fluorophenyl)-7-methylidenecyclohepta-1,3,5-triene;2-tert-butyl-7-(2-methoxy-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;[2-tert-butyl-6-(7-methylidenecyclohepta-1,3,5-trien-1-yl)phenyl]methanethiol;[2-tert-butyl-6-(7-methylidenecyclohepta-1,3,5-trien-1-yl)phenyl]methanol;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)-5-methylbenzonitrile;methane
CID 161641751
2-(3-Tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;tris(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one
CID 161792803

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one (CID 157463089) is 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one is CC(C)(C)c1cccc(-c2cccccc2=O)c1CO.CC(C)(C)c1cccc(-c2cccccc2=O)c1CS.CC(C)(C)c1cccc(-c2cccccc2=O)c1Cl.CC(C)(C)c1cccc(-c2cccccc2=O)c1F.CC(C)(C)c1ccccc(-c2ccccc2C#N)c1=O.CC(C)(C)c1ccccc(-c2ccccc2Cl)c1=O.CC(C)(C)c1ccccc(-c2ccccc2F)c1=O.Cc1ccc(-c2ccccc(C(C)(C)C)c2=O)c(F)c1.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O.Cc1ccccc1-c1ccccc(C(C)(C)C)c1=O.
What is the InChIKey of 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one?
The InChIKey is BUDUDHWFGJUELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO.C18H17NO.C18H20O2.C18H20OS.2C18H20O.2C17H17ClO.2C17H17FO/c1-12-9-10-13(16(19)11-12)14-7-5-6-8-15(17(14)20)18(2,3)4;1-18(2,3)16-11-7-6-10-15(17(16)20)14-9-5-4-8-13(14)12-19;1-18(2,3)16-10-7-9-13(15(16)12-19)14-8-5-4-6-11-17(14)20;1-18(2,3)16-10-7-9-13(15(16)12-20)14-8-5-4-6-11-17(14)19;2*1-13-9-5-6-10-14(13)15-11-7-8-12-16(17(15)19)18(2,3)4;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19;1-17(2,3)14-10-6-4-9-13(16(14)19)12-8-5-7-11-15(12)18;1-17(2,3)14-10-7-9-13(16(14)18)12-8-5-4-6-11-15(12)19/h5-11H,1-4H3;4-11H,1-3H3;4-11,19H,12H2,1-3H3;4-11,20H,12H2,1-3H3;2*5-12H,1-4H3;4*4-11H,1-3H3.
What are the key properties of 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one?
2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one has a molecular weight of 2649.37 g/mol, XLogP of 42.56, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-chlorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluoro-4-methylphenyl)cyclohepta-2,4,6-trien-1-one;2-(3-tert-butyl-2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(2-fluorophenyl)cyclohepta-2,4,6-trien-1-one;2-[3-tert-butyl-2-(hydroxymethyl)phenyl]cyclohepta-2,4,6-trien-1-one;bis(2-tert-butyl-7-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one);2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)benzonitrile;2-[3-tert-butyl-2-(sulfanylmethyl)phenyl]cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 157463089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).