1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene

C202H268BrCl3F3N11O — CID 161058830

IUPAC1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)C1CCc2ccc(F)cc2C1.CC(C)C1Cc2ccccc2C1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.COc1cccc(C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)CN(C(C)C)CC2.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc2c(c1)CN(C(C)C)CC2.[C-]#[N+]c1ccc(C(C)C)cc1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C13H17F.C13H19N.C12H18N2.C12H16.C11H16.C10H13F.C10H12N2.2C10H11N.C10H14O.3C10H14.C9H11Br.C9H10Cl2.C9H11Cl.C9H11F.C9H12.2C8H12N2/c1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14;1-9(2)14-5-4-12-11(8-14)6-10(3)7-13-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8/h5-6,8-9,11H,3-4,7H2,1-2H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;3-6,9,12H,7-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3
InChIKeyUDCTWPBISMWLPB-UHFFFAOYSA-N
MW3109.70 g/mol
LogP60.56
Rot. Bonds21

About 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 161058830) has the molecular formula C202H268BrCl3F3N11O and a molecular weight of 3109.70 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID161058830
Molecular FormulaC202H268BrCl3F3N11O
Molecular Weight3109.70 g/mol
Exact Mass3104.95
IUPAC Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)C1CCc2ccc(F)cc2C1.CC(C)C1Cc2ccccc2C1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.COc1cccc(C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)CN(C(C)C)CC2.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc2c(c1)CN(C(C)C)CC2.[C-]#[N+]c1ccc(C(C)C)cc1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C13H17F.C13H19N.C12H18N2.C12H16.C11H16.C10H13F.C10H12N2.2C10H11N.C10H14O.3C10H14.C9H11Br.C9H10Cl2.C9H11Cl.C9H11F.C9H12.2C8H12N2/c1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14;1-9(2)14-5-4-12-11(8-14)6-10(3)7-13-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8/h5-6,8-9,11H,3-4,7H2,1-2H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;3-6,9,12H,7-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3
InChIKeyUDCTWPBISMWLPB-UHFFFAOYSA-N
XLogP60.56
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms221
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003109.70
LogP ≤ 560.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene (CID 161058830) is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene is CC(C)C1CCc2ccc(F)cc2C1.CC(C)C1Cc2ccccc2C1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1nc2ccccc2[nH]1.COc1cccc(C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)CN(C(C)C)CC2.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc2c(c1)CN(C(C)C)CC2.[C-]#[N+]c1ccc(C(C)C)cc1.[C-]#[N+]c1cccc(C(C)C)c1.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is UDCTWPBISMWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.C13H19N.C12H18N2.C12H16.C11H16.C10H13F.C10H12N2.2C10H11N.C10H14O.3C10H14.C9H11Br.C9H10Cl2.C9H11Cl.C9H11F.C9H12.2C8H12N2/c1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-10(2)14-7-6-12-5-4-11(3)8-13(12)9-14;1-9(2)14-5-4-12-11(8-14)6-10(3)7-13-12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8/h5-6,8-9,11H,3-4,7H2,1-2H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;3-6,9,12H,7-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*4-8H,1-2H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene?
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 3109.70 g/mol, XLogP of 60.56, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;7-fluoro-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-methyl-6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 161058830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).