cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene

C184H217N5O2S — CID 159484883

IUPACcumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene
SMILESCC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)C1CCCC1.CC(C)Cc1ccccc1.CC(C)c1cc2ccccc2c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2conc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1
InChIInChI=1S/C17H16.C15H16.2C13H14.C12H14.C11H14N2.2C11H13N.C11H12O.C11H12S.C11H14.C11H12.C10H11NO.C10H14.C9H12.C8H16/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)10-5-6-11-4-3-7-12(11)8-10;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-4-9-6-12-11-10(9)5-8;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8/h3-12H,1-2H3;3-12H,1-2H3;2*3-10H,1-2H3;3,5-9H,4H2,1-2H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3/b;;;;;;;;;;9-8+;;;;;
InChIKeyLXLOYILDMQMZHT-FPTUVUTISA-N
MW2562.86 g/mol
LogP54.84
Rot. Bonds18

About cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene

cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene (PubChem CID 159484883) has the molecular formula C184H217N5O2S and a molecular weight of 2562.86 g/mol. Its IUPAC name is cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene.

Molecular Properties

Compound Namecumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene
PubChem CID159484883
Molecular FormulaC184H217N5O2S
Molecular Weight2562.86 g/mol
Exact Mass2560.68
IUPAC Namecumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene
SMILESCC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)C1CCCC1.CC(C)Cc1ccccc1.CC(C)c1cc2ccccc2c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2conc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1
InChIInChI=1S/C17H16.C15H16.2C13H14.C12H14.C11H14N2.2C11H13N.C11H12O.C11H12S.C11H14.C11H12.C10H11NO.C10H14.C9H12.C8H16/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)10-5-6-11-4-3-7-12(11)8-10;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-4-9-6-12-11-10(9)5-8;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8/h3-12H,1-2H3;3-12H,1-2H3;2*3-10H,1-2H3;3,5-9H,4H2,1-2H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3/b;;;;;;;;;;9-8+;;;;;
InChIKeyLXLOYILDMQMZHT-FPTUVUTISA-N
XLogP54.84
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002562.86
LogP ≤ 554.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene with MolForge

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Related Compounds

12-Dibenzofuran-2-yl-5,16-diphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,6,8,10,12,14,17,19,21,23-undecaene;12-dibenzothiophen-4-yl-5,11,16-triphenyl-5,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1(13),2(10),3,6,8,11,14,17,19,21,23-undecaene;5,22-diphenyl-12-pyridin-3-yl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-5,22-diphenyl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene
CID 157159270
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157173412
cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;1-methyl-5-propan-2-yl-3,4-dihydropyridin-2-one;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene
CID 157322238
1-Tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;1-tert-butylindolizine;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;3-tert-butyl-1-methylindole;1-tert-butyl-2-methylisoindole
CID 157585003
16-(1-Benzothiophen-3-yl)-15-(3,5-diphenylphenyl)-11,26-dioxaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzofuran-2-yl-11,26-dioxaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;7,16-diphenyl-12-pyridin-3-yl-7,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene;12-(4-methoxyphenyl)-7,16-diphenyl-7,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene
CID 157634650
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157847463
4-Tert-butyl-1,2-dimethylbenzene;2-tert-butylfuran;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;2-tert-butylthiophene;2-tert-butyl-3,5,6-trideuterio-4-methylpyridine;1,4-ditert-butyl-2,3,5-trideuterio-6-methylbenzene
CID 157913708
12-(1-Benzothiophen-3-yl)-22-phenyl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-11,16-diphenyl-7-oxa-16-azahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene;12-(4-methoxyphenyl)-22-phenyl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;22-phenyl-12-pyridin-3-yl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene
CID 157919746
N,N-diphenyl-4-(4-phenyl-20-oxa-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-4-phenyl-20-thia-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene;4-phenyl-9-(9-phenylcarbazol-3-yl)-20-thia-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 157927015
5-(8-Dibenzofuran-2-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-2-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9-phenylcarbazol-3-yl)phthalazin-5-yl]benzo[b]carbazole
CID 157996044
12-Dibenzofuran-2-yl-5,22-diphenyl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-5,22-diphenyl-11-pyridin-3-yl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,6,8,11,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-5,22-diphenyl-5,22-diazahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,6,8,10,12,14,16,18,20,23-undecaene
CID 158135693
2-Tert-butyl-1-benzothiophene;1-tert-butyl-4-fluoronaphthalene;6-tert-butylisoquinoline;6-tert-butyl-3-methyl-1,2-benzoxazole;6-tert-butyl-1-methylindole;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;6-tert-butyl-1-phenylmethoxynaphthalene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline
CID 158320306

Frequently Asked Questions

What is the IUPAC name of cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene?
The IUPAC name of cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene (CID 159484883) is cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene.
What is the SMILES notation for cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene?
The canonical SMILES for cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene is CC(C)/C=C/c1ccccc1.CC(C)C#Cc1ccccc1.CC(C)C1CCCC1.CC(C)Cc1ccccc1.CC(C)c1cc2ccccc2c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cccn2c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2conc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.
What is the InChIKey of cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene?
The InChIKey is LXLOYILDMQMZHT-FPTUVUTISA-N. The full InChI is InChI=1S/C17H16.C15H16.2C13H14.C12H14.C11H14N2.2C11H13N.C11H12O.C11H12S.C11H14.C11H12.C10H11NO.C10H14.C9H12.C8H16/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)10-5-6-11-4-3-7-12(11)8-10;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-4-9-6-12-11-10(9)5-8;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8/h3-12H,1-2H3;3-12H,1-2H3;2*3-10H,1-2H3;3,5-9H,4H2,1-2H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-10H,1-2H3;3-7,10H,1-2H3;3-7H,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3/b;;;;;;;;;;9-8+;;;;;.
What are the key properties of cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene?
cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene has a molecular weight of 2562.86 g/mol, XLogP of 54.84, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;2-methyl-6-propan-2-ylindazole;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene is sourced from PubChem (CID 159484883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).