4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene

C180H227BrCl18FNO12 — CID 159937635

IUPAC4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene
SMILESCC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Br)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(Cl)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(N)=O)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)cc1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1C.Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H16ClNO.C12H17ClO.C12H18O.C11H14Cl2O.C11H14Cl2.3C11H15ClO.C11H15Cl.C11H16O.C10H12BrClO.C10H12ClFO/c1-17(2,3)13-8-12(15(20)9-16(13)21-4)11-7-10(18)5-6-14(11)19;1-16(2,3)12-7-11(14(19)8-15(12)20)10-6-9(17)4-5-13(10)18;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-9(12(2,3)4)8(11(14)15)6-10(7)13;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-8-6-10(12(3,4)5)11(13)7-9(8)2;1-11(2,3)7-5-10(14-4)9(13)6-8(7)12;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;1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-10(2,3)6-4-7(11)8(12)5-9(6)13/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);6-7,14H,5H2,1-4H3;6-7,13H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;3*5-6,13H,1-4H3;5-7H,1-4H3;5-7,12H,1-4H3;2*4-5,13H,1-3H3
InChIKeyOALPAWHYCKBHBM-UHFFFAOYSA-N
MW3333.85 g/mol
LogP61.72
Rot. Bonds6

About 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene

4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene (PubChem CID 159937635) has the molecular formula C180H227BrCl18FNO12 and a molecular weight of 3333.85 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene
PubChem CID159937635
Molecular FormulaC180H227BrCl18FNO12
Molecular Weight3333.85 g/mol
Exact Mass3322.07
IUPAC Name4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene
SMILESCC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Br)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(Cl)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(N)=O)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)cc1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1C.Cc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H16ClNO.C12H17ClO.C12H18O.C11H14Cl2O.C11H14Cl2.3C11H15ClO.C11H15Cl.C11H16O.C10H12BrClO.C10H12ClFO/c1-17(2,3)13-8-12(15(20)9-16(13)21-4)11-7-10(18)5-6-14(11)19;1-16(2,3)12-7-11(14(19)8-15(12)20)10-6-9(17)4-5-13(10)18;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-9(12(2,3)4)8(11(14)15)6-10(7)13;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-8-6-10(12(3,4)5)11(13)7-9(8)2;1-11(2,3)7-5-10(14-4)9(13)6-8(7)12;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;1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-10(2,3)6-4-7(11)8(12)5-9(6)13/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);6-7,14H,5H2,1-4H3;6-7,13H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;3*5-6,13H,1-4H3;5-7H,1-4H3;5-7,12H,1-4H3;2*4-5,13H,1-3H3
InChIKeyOALPAWHYCKBHBM-UHFFFAOYSA-N
XLogP61.72
TPSA243.62 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003333.85
LogP ≤ 561.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene?
The IUPAC name of 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene (CID 159937635) is 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene.
What is the SMILES notation for 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene?
The canonical SMILES for 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene is CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O.CC(C)(C)c1cc(Br)c(Cl)cc1O.CC(C)(C)c1cc(Cl)c(F)cc1O.CC(C)(C)c1cccc2ccccc12.CCc1cc(C(C)(C)C)c(O)cc1Cl.COc1cc(C(C)(C)C)c(Cl)cc1Cl.COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(N)=O)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)cc1Cl.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(O)c(C(C)(C)C)cc1C.Cc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene?
The InChIKey is OALPAWHYCKBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O.C16H15Cl3O.C14H16.C12H16ClNO.C12H17ClO.C12H18O.C11H14Cl2O.C11H14Cl2.3C11H15ClO.C11H15Cl.C11H16O.C10H12BrClO.C10H12ClFO/c1-17(2,3)13-8-12(15(20)9-16(13)21-4)11-7-10(18)5-6-14(11)19;1-16(2,3)12-7-11(14(19)8-15(12)20)10-6-9(17)4-5-13(10)18;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-7-5-9(12(2,3)4)8(11(14)15)6-10(7)13;1-5-8-6-9(12(2,3)4)11(14)7-10(8)13;1-8-6-10(12(3,4)5)11(13)7-9(8)2;1-11(2,3)7-5-10(14-4)9(13)6-8(7)12;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;1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-10(2,3)6-4-7(11)8(12)5-9(6)13/h5-9H,1-4H3;4-8,20H,1-3H3;4-10H,1-3H3;5-6H,1-4H3,(H2,14,15);6-7,14H,5H2,1-4H3;6-7,13H,1-5H3;5-6H,1-4H3;5-6H,1-4H3;3*5-6,13H,1-4H3;5-7H,1-4H3;5-7,12H,1-4H3;2*4-5,13H,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene?
4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene has a molecular weight of 3333.85 g/mol, XLogP of 61.72, 6 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-5-chlorophenol;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;1-tert-butyl-3-chloro-5-methylbenzene;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-4-methylphenol;1-tert-butylnaphthalene is sourced from PubChem (CID 159937635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).