1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine

C178H242Cl3F5N8O10S — CID 157147286

IUPAC1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)(C)C)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccnc(C(C)C)c1.COc1cc(CO)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1ncc(C(C)C)cc1Cl.COc1ncc(C(C)C)cc1F.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19Cl.C12H17NO.C11H17N.C11H16O2.C11H14O.C10H13NO.C10H15N.C10H14O2S.C10H14.C9H12ClNO.C9H11Cl.C9H10F2.C9H12FNO.2C9H11F.C9H13NO.C9H12.C8H11N/c1-9(2)10-6-11(13(3,4)5)8-12(14)7-10;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-4-9(7-12)5-11(6-10)13-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8/h6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-6,8,12H,7H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyAKVUPDOTIKQCLJ-UHFFFAOYSA-N
MW2887.36 g/mol
LogP50.33
Rot. Bonds29

About 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine

1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine (PubChem CID 157147286) has the molecular formula C178H242Cl3F5N8O10S and a molecular weight of 2887.36 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine.

Molecular Properties

Compound Name1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine
PubChem CID157147286
Molecular FormulaC178H242Cl3F5N8O10S
Molecular Weight2887.36 g/mol
Exact Mass2883.74
IUPAC Name1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)(C)C)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccnc(C(C)C)c1.COc1cc(CO)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1ncc(C(C)C)cc1Cl.COc1ncc(C(C)C)cc1F.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19Cl.C12H17NO.C11H17N.C11H16O2.C11H14O.C10H13NO.C10H15N.C10H14O2S.C10H14.C9H12ClNO.C9H11Cl.C9H10F2.C9H12FNO.2C9H11F.C9H13NO.C9H12.C8H11N/c1-9(2)10-6-11(13(3,4)5)8-12(14)7-10;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-4-9(7-12)5-11(6-10)13-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8/h6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-6,8,12H,7H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyAKVUPDOTIKQCLJ-UHFFFAOYSA-N
XLogP50.33
TPSA262.23 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002887.36
LogP ≤ 550.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3-chloro-5-propan-2-ylbenzene;2-chloro-4-methoxy-1-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-4-propan-2-ylbenzoic acid;cumene;1,3-di(propan-2-yl)benzene;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;N-methyl-3-propan-2-ylbenzamide;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid;4-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 158335246
CID 159190145
CID 159190145
1-tert-butyl-3-chloro-5-propan-2-ylbenzene;2-chloro-4-methoxy-1-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-4-propan-2-ylbenzoic acid;cumene;1,3-di(propan-2-yl)benzene;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;N-methyl-3-propan-2-ylbenzamide;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzaldehyde;4-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 160254948
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160905229
CID 161053253
CID 161053253
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159461709

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine?
The IUPAC name of 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine (CID 157147286) is 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine.
What is the SMILES notation for 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine?
The canonical SMILES for 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine is CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(Cl)cc(C(C)(C)C)c1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CN)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1cccnc1.CC(C)c1ccnc(C(C)C)c1.COc1cc(CO)cc(C(C)C)c1.COc1ccc(C(C)C)cn1.COc1ncc(C(C)C)cc1Cl.COc1ncc(C(C)C)cc1F.Cc1ccccc1C(C)C.
What is the InChIKey of 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine?
The InChIKey is AKVUPDOTIKQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl.C12H17NO.C11H17N.C11H16O2.C11H14O.C10H13NO.C10H15N.C10H14O2S.C10H14.C9H12ClNO.C9H11Cl.C9H10F2.C9H12FNO.2C9H11F.C9H13NO.C9H12.C8H11N/c1-9(2)10-6-11(13(3,4)5)8-12(14)7-10;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-4-9(7-12)5-11(6-10)13-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-5-3-4-6-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-8(10)9(12-3)11-5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8/h6-9H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-6,8,12H,7H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine?
1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine has a molecular weight of 2887.36 g/mol, XLogP of 50.33, 29 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-chloro-5-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;(3-methoxy-5-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzamide;1-(3-propan-2-ylphenyl)ethanone;(3-propan-2-ylphenyl)methanamine;3-propan-2-ylpyridine is sourced from PubChem (CID 157147286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).