cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C162H215N9O6S2 — CID 158006595

IUPACcumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1=CCCCC1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCCO2.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1
InChIInChI=1S/C14H15NO.C12H17NO.C12H17N.C12H16O.C12H14.C11H15NO.2C11H13N.C11H14O2.C9H16.C9H12.3C8H11N.2C7H10S/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)10-4-5-12-11(8-10)13-6-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-5,7,9H,6,8H2,1-2H3;4-5,8-9,13H,3,6-7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-5,7-9H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyFEJCTVJBMMJJNH-UHFFFAOYSA-N
MW2448.69 g/mol
LogP46.07
Rot. Bonds16

About cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158006595) has the molecular formula C162H215N9O6S2 and a molecular weight of 2448.69 g/mol. Its IUPAC name is cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158006595
Molecular FormulaC162H215N9O6S2
Molecular Weight2448.69 g/mol
Exact Mass2446.62
IUPAC Namecumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1=CCCCC1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCCO2.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1
InChIInChI=1S/C14H15NO.C12H17NO.C12H17N.C12H16O.C12H14.C11H15NO.2C11H13N.C11H14O2.C9H16.C9H12.3C8H11N.2C7H10S/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)10-4-5-12-11(8-10)13-6-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-5,7,9H,6,8H2,1-2H3;4-5,8-9,13H,3,6-7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-5,7-9H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyFEJCTVJBMMJJNH-UHFFFAOYSA-N
XLogP46.07
TPSA174.61 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002448.69
LogP ≤ 546.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

4,7-bis[5-(2,6-dimethylphenyl)thiophen-2-yl]-5,6-diphenoxy-1H-indole
CID 156084845
4,7-bis[5-(2,5-dimethylphenyl)thiophen-2-yl]-5,6-diphenoxy-1H-indole
CID 156492669
1-butan-2-yl-2-methoxybenzene;cumene;3,7-diethyl-1H-indole;2,5-diethylpyridine;3-ethyl-9H-carbazole;4-ethyl-9H-carbazole;1-ethylcyclopenta-1,3-diene;3-ethyl-1H-indole;2-ethyl-6-methoxynaphthalene;2-ethyl-1-methylpyrrole;4-ethylpyrene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;4-ethyl-3H-pyrrole;3-ethylquinoline;2-ethylthiophene;3-ethylthiophene;1-hexan-2-yl-3,5-dimethylbenzene
CID 158232061
11-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;9-propan-2-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene;9-propan-2-yl-5,6-dihydro-4H-benzo[de]quinoline;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene;5-propan-2-yl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;6-propan-2-yl-10-oxa-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 158972004
3,4-di(propan-2-yl)benzo[b][1,6]naphthyridine;2,3-di(propan-2-yl)-1H-benzo[f]indole;1,2-di(propan-2-yl)-3,4-dihydrobenzo[f]isoquinoline;9,10-di(propan-2-yl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]isoquinoline;8,9-di(propan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline;7,8-di(propan-2-yl)-9,10-dihydro-1,9-phenanthroline;7,8-di(propan-2-yl)-5,6-dihydrothieno[2,3-b][1,6]naphthyridine;7,8-di(propan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline;7,8-di(propan-2-yl)thieno[2,3-b][1,6]naphthyridine
CID 160087279
7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
CID 160503082
(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane
CID 165068533

Frequently Asked Questions

What is the IUPAC name of cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158006595) is cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1=CCCCC1.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCCO2.CC(C)c1ccc2c(c1)NCCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.
What is the InChIKey of cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is FEJCTVJBMMJJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C12H17NO.C12H17N.C12H16O.C12H14.C11H15NO.2C11H13N.C11H14O2.C9H16.C9H12.3C8H11N.2C7H10S/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)10-4-5-12-11(8-10)13-6-3-7-14-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-3-4-11-10(7-9)12-5-6-13-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-5,7,9H,6,8H2,1-2H3;4-5,8-9,13H,3,6-7H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-5,7-9H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 2448.69 g/mol, XLogP of 46.07, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158006595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).