2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene

C269H454BrClFN5O9 — CID 161362595

IUPAC2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1cc(C(C)C)ccc1C(C)C.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(C#N)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(N)=O)c1.CC(C)c1ccc(C(C)C)c(C=O)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(N(C)C)c1.CC(C)c1ccc(C(C)C)c(N)c1.CC(C)c1ccc(C(C)C)c(O)c1.CC(C)c1ccc(C(C)C)c([N+](=O)[O-])c1.CC(C)c1ccc(C(C)C)cc1.CCc1cc(C(C)C)ccc1C(C)C.COC(=O)c1cc(C(C)C)ccc1C(C)C.COc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C15H24.C14H23N.C14H20O2.C14H20O.C14H22.C13H19NO.C13H17N.C13H20O.C13H18O.2C13H20.C12H17Br.C12H17Cl.C12H17F.C12H17NO2.C12H19N.C12H18O.C12H18.18C2H6/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6;1-10(2)12-7-8-13(11(3)4)14(9-12)15(5)6;1-9(2)11-6-7-12(10(3)4)13(8-11)14(15)16-5;1-9(2)12-6-7-13(10(3)4)14(8-12)11(5)15;1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)11-6-7-12(10(3)4)13(8-11)14-5;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;18*1-2/h7-12H,1-6H3;7-11H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-11H,6H2,1-5H3;5-9H,1-4H3,(H2,14,15);5-7,9-10H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;2*6-10H,1-5H3;3*5-9H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;18*1-2H3
InChIKeyVPJNXAJXZYNKMT-UHFFFAOYSA-N
MW4036.97 g/mol
LogP91.17
Rot. Bonds45

About 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene

2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene (PubChem CID 161362595) has the molecular formula C269H454BrClFN5O9 and a molecular weight of 4036.97 g/mol. Its IUPAC name is 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene
PubChem CID161362595
Molecular FormulaC269H454BrClFN5O9
Molecular Weight4036.97 g/mol
Exact Mass4032.41
IUPAC Name2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1cc(C(C)C)ccc1C(C)C.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(C#N)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(N)=O)c1.CC(C)c1ccc(C(C)C)c(C=O)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(N(C)C)c1.CC(C)c1ccc(C(C)C)c(N)c1.CC(C)c1ccc(C(C)C)c(O)c1.CC(C)c1ccc(C(C)C)c([N+](=O)[O-])c1.CC(C)c1ccc(C(C)C)cc1.CCc1cc(C(C)C)ccc1C(C)C.COC(=O)c1cc(C(C)C)ccc1C(C)C.COc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C15H24.C14H23N.C14H20O2.C14H20O.C14H22.C13H19NO.C13H17N.C13H20O.C13H18O.2C13H20.C12H17Br.C12H17Cl.C12H17F.C12H17NO2.C12H19N.C12H18O.C12H18.18C2H6/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6;1-10(2)12-7-8-13(11(3)4)14(9-12)15(5)6;1-9(2)11-6-7-12(10(3)4)13(8-11)14(15)16-5;1-9(2)12-6-7-13(10(3)4)14(8-12)11(5)15;1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)11-6-7-12(10(3)4)13(8-11)14-5;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;18*1-2/h7-12H,1-6H3;7-11H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-11H,6H2,1-5H3;5-9H,1-4H3,(H2,14,15);5-7,9-10H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;2*6-10H,1-5H3;3*5-9H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;18*1-2H3
InChIKeyVPJNXAJXZYNKMT-UHFFFAOYSA-N
XLogP91.17
TPSA229.18 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds45
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004036.97
LogP ≤ 591.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene with MolForge

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Related Compounds

2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;2-methyl-1,4-di(propan-2-yl)benzene;methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene
CID 167692133
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
ethyl 2-(3-cyano-4-nitrophenyl)propanoate
CID 121011293
2-bromo-1,3-dichloro-5-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-fluoro-2-nitro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene
CID 167614805
methyl 5-(bromomethyl)-2-chloro-4-nitrobenzoate
CID 171014313
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
2-acetyl-4-methoxy-5-nitrobenzonitrile
CID 131302585
methyl 2-[(1R)-1-(2-cyanophenoxy)-2-methoxy-2-oxoethyl]-4,5-dimethoxybenzoate
CID 139207305
methyl 2-cyano-5-(difluoromethoxy)-4-formylbenzoate
CID 134646562
2-chloro-1,4-di(propan-2-yl)benzene;1-chloro-3-fluoro-2,5-di(propan-2-yl)benzene;1,3-difluoro-2,5-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;methane;bis(2-methyl-1,4-di(propan-2-yl)benzene)
CID 163434511
2-acetyl-4-formyl-5-methylbenzonitrile
CID 171016667
methyl 5-cyano-4-formyl-2-nitrobenzoate
CID 134647355

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene?
The IUPAC name of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene (CID 161362595) is 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene?
The canonical SMILES for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)c1cc(C(C)C)ccc1C(C)C.CC(C)c1ccc(C(C)C)c(Br)c1.CC(C)c1ccc(C(C)C)c(C#N)c1.CC(C)c1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(C(C)C)c(C(N)=O)c1.CC(C)c1ccc(C(C)C)c(C=O)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(N(C)C)c1.CC(C)c1ccc(C(C)C)c(N)c1.CC(C)c1ccc(C(C)C)c(O)c1.CC(C)c1ccc(C(C)C)c([N+](=O)[O-])c1.CC(C)c1ccc(C(C)C)cc1.CCc1cc(C(C)C)ccc1C(C)C.COC(=O)c1cc(C(C)C)ccc1C(C)C.COc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.Cc1cc(C(C)C)ccc1C(C)C.
What is the InChIKey of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene?
The InChIKey is VPJNXAJXZYNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C14H23N.C14H20O2.C14H20O.C14H22.C13H19NO.C13H17N.C13H20O.C13H18O.2C13H20.C12H17Br.C12H17Cl.C12H17F.C12H17NO2.C12H19N.C12H18O.C12H18.18C2H6/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6;1-10(2)12-7-8-13(11(3)4)14(9-12)15(5)6;1-9(2)11-6-7-12(10(3)4)13(8-11)14(15)16-5;1-9(2)12-6-7-13(10(3)4)14(8-12)11(5)15;1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;1-9(2)11-6-7-12(10(3)4)13(8-11)14-5;1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;3*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12(7-10)13(14)15;2*1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;18*1-2/h7-12H,1-6H3;7-11H,1-6H3;6-10H,1-5H3;6-10H,1-5H3;7-11H,6H2,1-5H3;5-9H,1-4H3,(H2,14,15);5-7,9-10H,1-4H3;6-10H,1-5H3;5-10H,1-4H3;2*6-10H,1-5H3;3*5-9H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;18*1-2H3.
What are the key properties of 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene?
2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene has a molecular weight of 4036.97 g/mol, XLogP of 91.17, 45 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-di(propan-2-yl)benzene;2-chloro-1,4-di(propan-2-yl)benzene;N,N-dimethyl-2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)aniline;2,5-di(propan-2-yl)benzaldehyde;2,5-di(propan-2-yl)benzamide;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)benzonitrile;2,5-di(propan-2-yl)phenol;1-[2,5-di(propan-2-yl)phenyl]ethanone;ethane;2-ethyl-1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene;2-methoxy-1,4-di(propan-2-yl)benzene;bis(2-methyl-1,4-di(propan-2-yl)benzene);methyl 2,5-di(propan-2-yl)benzoate;2-nitro-1,4-di(propan-2-yl)benzene;1,2,4-tri(propan-2-yl)benzene is sourced from PubChem (CID 161362595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).