1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate

C174H191N7O20 — CID 159684977

IUPAC1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate
SMILESCC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12.CC(C)c1c(C(=O)/C=C/c2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(CO)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12
InChIInChI=1S/C27H27NO2.C27H25NO2.C26H31NO4.C25H29NO3.C24H29NO3.C24H27NO3.C21H23NO3/c2*1-19(2)27-26(25(30)16-13-20-9-5-3-6-10-20)23-17-22(29)14-15-24(23)28(27)18-21-11-7-4-8-12-21;1-4-29-26(28)24-21-16-20(31-23-12-8-9-15-30-23)13-14-22(21)27(25(24)18(2)3)17-19-10-6-5-7-11-19;1-17(2)25-24(18(3)27)21-15-20(29-23-11-7-8-14-28-23)12-13-22(21)26(25)16-19-9-5-4-6-10-19;2*1-17(2)24-21(16-26)20-14-19(28-23-10-6-7-13-27-23)11-12-22(20)25(24)15-18-8-4-3-5-9-18;1-4-25-21(24)19-17-12-16(23)10-11-18(17)22(20(19)14(2)3)13-15-8-6-5-7-9-15/h3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-17,19,29H,18H2,1-2H3;5-7,10-11,13-14,16,18,23H,4,8-9,12,15,17H2,1-3H3;4-6,9-10,12-13,15,17,23H,7-8,11,14,16H2,1-3H3;3-5,8-9,11-12,14,17,23,26H,6-7,10,13,15-16H2,1-2H3;3-5,8-9,11-12,14,16-17,23H,6-7,10,13,15H2,1-2H3;5-12,14,23H,4,13H2,1-3H3/b;16-13+;;;;;
InChIKeyMVRDDYFIXDAAJI-BJDURGGBSA-N
MW2700.47 g/mol
LogP40.00
Rot. Bonds43

About 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate

1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate (PubChem CID 159684977) has the molecular formula C174H191N7O20 and a molecular weight of 2700.47 g/mol. Its IUPAC name is 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate.

Molecular Properties

Compound Name1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate
PubChem CID159684977
Molecular FormulaC174H191N7O20
Molecular Weight2700.47 g/mol
Exact Mass2698.41
IUPAC Name1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate
SMILESCC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12.CC(C)c1c(C(=O)/C=C/c2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(CO)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12
InChIInChI=1S/C27H27NO2.C27H25NO2.C26H31NO4.C25H29NO3.C24H29NO3.C24H27NO3.C21H23NO3/c2*1-19(2)27-26(25(30)16-13-20-9-5-3-6-10-20)23-17-22(29)14-15-24(23)28(27)18-21-11-7-4-8-12-21;1-4-29-26(28)24-21-16-20(31-23-12-8-9-15-30-23)13-14-22(21)27(25(24)18(2)3)17-19-10-6-5-7-11-19;1-17(2)25-24(18(3)27)21-15-20(29-23-11-7-8-14-28-23)12-13-22(21)26(25)16-19-9-5-4-6-10-19;2*1-17(2)24-21(16-26)20-14-19(28-23-10-6-7-13-27-23)11-12-22(20)25(24)15-18-8-4-3-5-9-18;1-4-25-21(24)19-17-12-16(23)10-11-18(17)22(20(19)14(2)3)13-15-8-6-5-7-9-15/h3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-17,19,29H,18H2,1-2H3;5-7,10-11,13-14,16,18,23H,4,8-9,12,15,17H2,1-3H3;4-6,9-10,12-13,15,17,23H,7-8,11,14,16H2,1-3H3;3-5,8-9,11-12,14,17,23,26H,6-7,10,13,15-16H2,1-2H3;3-5,8-9,11-12,14,16-17,23H,6-7,10,13,15H2,1-2H3;5-12,14,23H,4,13H2,1-3H3/b;16-13+;;;;;
InChIKeyMVRDDYFIXDAAJI-BJDURGGBSA-N
XLogP40.00
TPSA310.15 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002700.47
LogP ≤ 540.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate?
The IUPAC name of 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate (CID 159684977) is 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate.
What is the SMILES notation for 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate?
The canonical SMILES for 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate is CC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12.CC(C)c1c(C(=O)/C=C/c2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(CO)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(O)cc12.CCOC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC3CCCCO3)cc12.
What is the InChIKey of 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate?
The InChIKey is MVRDDYFIXDAAJI-BJDURGGBSA-N. The full InChI is InChI=1S/C27H27NO2.C27H25NO2.C26H31NO4.C25H29NO3.C24H29NO3.C24H27NO3.C21H23NO3/c2*1-19(2)27-26(25(30)16-13-20-9-5-3-6-10-20)23-17-22(29)14-15-24(23)28(27)18-21-11-7-4-8-12-21;1-4-29-26(28)24-21-16-20(31-23-12-8-9-15-30-23)13-14-22(21)27(25(24)18(2)3)17-19-10-6-5-7-11-19;1-17(2)25-24(18(3)27)21-15-20(29-23-11-7-8-14-28-23)12-13-22(21)26(25)16-19-9-5-4-6-10-19;2*1-17(2)24-21(16-26)20-14-19(28-23-10-6-7-13-27-23)11-12-22(20)25(24)15-18-8-4-3-5-9-18;1-4-25-21(24)19-17-12-16(23)10-11-18(17)22(20(19)14(2)3)13-15-8-6-5-7-9-15/h3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-17,19,29H,18H2,1-2H3;5-7,10-11,13-14,16,18,23H,4,8-9,12,15,17H2,1-3H3;4-6,9-10,12-13,15,17,23H,7-8,11,14,16H2,1-3H3;3-5,8-9,11-12,14,17,23,26H,6-7,10,13,15-16H2,1-2H3;3-5,8-9,11-12,14,16-17,23H,6-7,10,13,15H2,1-2H3;5-12,14,23H,4,13H2,1-3H3/b;16-13+;;;;;.
What are the key properties of 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate?
1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate has a molecular weight of 2700.47 g/mol, XLogP of 40.00, 43 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;(E)-1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylprop-2-en-1-one;1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carbaldehyde;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]ethanone;[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]methanol;ethyl 1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carboxylate;ethyl 1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindole-3-carboxylate is sourced from PubChem (CID 159684977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).