1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane

C173H243ClF8N2O2 — CID 158094031

IUPAC1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16O.2C12H18.C11H13F3.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N.CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;/h4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;1H4
InChIKeyFOLLEZKNHNBDFV-UHFFFAOYSA-N
MW2570.30 g/mol
LogP52.51
Rot. Bonds2

About 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane

1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane (PubChem CID 158094031) has the molecular formula C173H243ClF8N2O2 and a molecular weight of 2570.30 g/mol. Its IUPAC name is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane.

Molecular Properties

Compound Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane
PubChem CID158094031
Molecular FormulaC173H243ClF8N2O2
Molecular Weight2570.30 g/mol
Exact Mass2567.85
IUPAC Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16O.2C12H18.C11H13F3.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N.CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;/h4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;1H4
InChIKeyFOLLEZKNHNBDFV-UHFFFAOYSA-N
XLogP52.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002570.30
LogP ≤ 552.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane with MolForge

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Related Compounds

N-[[4-[3-chloro-4-[3-[5-[(3-fluoropropylamino)methyl]-6-methoxy-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-3-fluoropropan-1-amine
CID 170697393
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-methoxy-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908932
2-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383331
2-[4-[4-[[4-(4-Chloro-3,5-difluorophenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383459
2-[4-[[4-[4-(4-Ethoxy-3-fluorophenyl)-3-fluorophenyl]phenoxy]-difluoromethyl]phenyl]-5-pentylpyridine
CID 58383491
2-[4-[4-[4-[(4-Chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383528
2-[4-[4-[[4-(4-Chloro-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383549
2-[4-[[4-[4-(4-Chloro-3,5-difluorophenyl)-3-fluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
CID 58383675
2-[4-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-pentylpyridine
CID 58383790

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane?
The IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane (CID 158094031) is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane.
What is the SMILES notation for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane?
The canonical SMILES for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane is C.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane?
The InChIKey is FOLLEZKNHNBDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.2C12H18.C11H13F3.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N.CH4/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;/h4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;1H4.
What are the key properties of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane?
1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane has a molecular weight of 2570.30 g/mol, XLogP of 52.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;methane is sourced from PubChem (CID 158094031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).