4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline

C267H311Cl3F3N13O13 — CID 161167524

IUPAC4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
SMILESC=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C14H16O.2C13H13FO.C13H19NO.2C13H16.3C12H13Cl.C12H16N2O.C12H15NO2.C12H15N.C12H13N.C12H14O.C11H12FN.C11H13NO.3C11H13N.C9H10N2O2/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-8,13H,1-3H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7,13H,1-2H3;3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,12H,1-2H3
InChIKeyUQSZCPQOGQNKOM-UHFFFAOYSA-N
MW4073.86 g/mol
LogP72.05
Rot. Bonds22

About 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline (PubChem CID 161167524) has the molecular formula C267H311Cl3F3N13O13 and a molecular weight of 4073.86 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
PubChem CID161167524
Molecular FormulaC267H311Cl3F3N13O13
Molecular Weight4073.86 g/mol
Exact Mass4069.31
IUPAC Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
SMILESC=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C14H16O.2C13H13FO.C13H19NO.2C13H16.3C12H13Cl.C12H16N2O.C12H15NO2.C12H15N.C12H13N.C12H14O.C11H12FN.C11H13NO.3C11H13N.C9H10N2O2/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-8,13H,1-3H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7,13H,1-2H3;3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,12H,1-2H3
InChIKeyUQSZCPQOGQNKOM-UHFFFAOYSA-N
XLogP72.05
TPSA402.24 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004073.86
LogP ≤ 572.05
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
CID 160162671
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 160438477
5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol
CID 160821315
CID 161211878
CID 161211878
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
CID 161638744
6-chloro-1-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;7-methyl-1-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);bis(7-methyl-4-propan-2-ylnaphthalen-2-ol);7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
CID 165061884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline (CID 161167524) is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline is C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline?
The InChIKey is UQSZCPQOGQNKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16O.2C13H13FO.C13H19NO.2C13H16.3C12H13Cl.C12H16N2O.C12H15NO2.C12H15N.C12H13N.C12H14O.C11H12FN.C11H13NO.3C11H13N.C9H10N2O2/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-8,13H,1-3H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7,13H,1-2H3;3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,12H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline?
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline has a molecular weight of 4073.86 g/mol, XLogP of 72.05, 22 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline is sourced from PubChem (CID 161167524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).