5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene

C114H151Cl8F2NO6 — CID 157151454

IUPAC5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
SMILESCC(C)(C)c1cccc2ccccc12.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)cc(C(N)=O)c1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H16.C12H16ClNO.2C11H14Cl2.2C11H15ClO.C11H15Cl.2C11H15FO.C11H16O/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-8(12(2,3)4)6-9(10(7)13)11(14)15;4*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-6-10(12)9(7-8)11(2,3)4/h4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);2*5-6H,1-4H3;2*5-6,13H,1-4H3;5-7H,1-4H3;2*5-6,13H,1-4H3;5-7,12H,1-4H3
InChIKeyALHKUFNOZJYQAK-UHFFFAOYSA-N
MW1953.08 g/mol
LogP36.90
Rot. Bonds1

About 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene

5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene (PubChem CID 157151454) has the molecular formula C114H151Cl8F2NO6 and a molecular weight of 1953.08 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
PubChem CID157151454
Molecular FormulaC114H151Cl8F2NO6
Molecular Weight1953.08 g/mol
Exact Mass1947.90
IUPAC Name5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
SMILESCC(C)(C)c1cccc2ccccc12.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)cc(C(N)=O)c1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H16.C12H16ClNO.2C11H14Cl2.2C11H15ClO.C11H15Cl.2C11H15FO.C11H16O/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-8(12(2,3)4)6-9(10(7)13)11(14)15;4*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-6-10(12)9(7-8)11(2,3)4/h4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);2*5-6H,1-4H3;2*5-6,13H,1-4H3;5-7H,1-4H3;2*5-6,13H,1-4H3;5-7,12H,1-4H3
InChIKeyALHKUFNOZJYQAK-UHFFFAOYSA-N
XLogP36.90
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.08
LogP ≤ 536.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene with MolForge

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Related Compounds

1-Bromo-4-tert-butylbenzene;2-tert-butylbenzamide;1-tert-butyl-4-chloro-2-fluorobenzene;2-tert-butyl-1-chloro-4-fluorobenzene;2-tert-butyl-4-chloro-1-fluorobenzene;1-tert-butyl-2,4-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-1,4-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-1-fluoro-4-methylbenzene;2-tert-butyl-3-fluorophenol;2-tert-butyl-5-fluorophenol;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;2-tert-butylphenol;3-tert-butylphenol;4-tert-butyl-3-(trifluoromethyl)phenol
CID 159234652
2-Chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 161110886
1-Tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tetrakis(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methoxybenzene;1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;2-tert-butyl-5-fluoro-4-methylphenol;1-tert-butylnaphthalene
CID 157419915
1-Tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-4-chloro-5-fluorophenol;2-tert-butyl-5-chloro-4-methylbenzamide;tetrakis(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methoxybenzene;1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
CID 159634235
4-Bromo-2-tert-butyl-5-chlorophenol;1-tert-butyl-4-chloro-2,5-dimethylbenzene;2-tert-butyl-4-chloro-5-fluorophenol;5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-5-chloro-4-methylphenol;5-tert-butyl-2-chloro-3-methylphenol;bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
CID 160332877
1-Tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-5-chloro-4-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;tetrakis(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methoxybenzene;1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;2-tert-butyl-5-fluoro-4-methylphenol;2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
CID 160924389
5-Tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);2-tert-butyl-5-fluoro-4-methylphenol;2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
CID 161437350
1-Tert-butyl-4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzene;2-tert-butyl-5-chloro-4-(2,5-dichlorophenyl)phenol;2-tert-butyl-5-chloro-4-ethylphenol;2-tert-butyl-5-chloro-4-methylbenzamide;tris(2-tert-butyl-5-chloro-4-methylphenol);1-tert-butyl-2,4-dichloro-5-methoxybenzene;1-tert-butyl-2,4-dichloro-5-methylbenzene;2-tert-butyl-4,5-dimethylphenol;2-tert-butyl-5-fluoro-4-methylphenol;1-tert-butylnaphthalene
CID 162008139

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene?
The IUPAC name of 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene (CID 157151454) is 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene.
What is the SMILES notation for 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene?
The canonical SMILES for 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene is CC(C)(C)c1cccc2ccccc12.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(Cl)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1Cl.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)c(O)cc1F.Cc1cc(C(C)(C)C)cc(C(N)=O)c1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene?
The InChIKey is ALHKUFNOZJYQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C12H16ClNO.2C11H14Cl2.2C11H15ClO.C11H15Cl.2C11H15FO.C11H16O/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-8(12(2,3)4)6-9(10(7)13)11(14)15;4*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-9(11(2,3)4)7-10(12)6-8;2*1-7-5-8(11(2,3)4)10(13)6-9(7)12;1-8-5-6-10(12)9(7-8)11(2,3)4/h4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);2*5-6H,1-4H3;2*5-6,13H,1-4H3;5-7H,1-4H3;2*5-6,13H,1-4H3;5-7,12H,1-4H3.
What are the key properties of 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene?
5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene has a molecular weight of 1953.08 g/mol, XLogP of 36.90, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene is sourced from PubChem (CID 157151454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).