1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane

C163H185N7O12 — CID 172959289

IUPAC1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane
SMILESC.C.C.C.CC(C)c1c(/C(CCc2ccccc2)=N/O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H37NO3.C27H28N2O2.C27H29NO2.C27H27NO2.C27H29NO.C19H19NO2.4CH4/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-19(2)27-26(24(28-31)15-13-20-9-5-3-6-10-20)23-17-22(30)14-16-25(23)29(27)18-21-11-7-4-8-12-21;2*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;1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22;1-13(2)19-17(12-21)16-10-15(22)8-9-18(16)20(19)11-14-6-4-3-5-7-14;;;;/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;3-12,14,16-17,19,30-31H,13,15,18H2,1-2H3;3-12,14-15,17,19,25,29-30H,13,16,18H2,1-2H3;3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3;3-10,12-13,22H,11H2,1-2H3;4*1H4/b;28-24+;;;;;;;;
InChIKeyLCVLLYUKOZDPAV-KQSRJWPBSA-N
MW2434.31 g/mol
LogP39.80
Rot. Bonds41

About 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane

1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane (PubChem CID 172959289) has the molecular formula C163H185N7O12 and a molecular weight of 2434.31 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane.

Molecular Properties

Compound Name1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane
PubChem CID172959289
Molecular FormulaC163H185N7O12
Molecular Weight2434.31 g/mol
Exact Mass2432.41
IUPAC Name1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane
SMILESC.C.C.C.CC(C)c1c(/C(CCc2ccccc2)=N/O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H37NO3.C27H28N2O2.C27H29NO2.C27H27NO2.C27H29NO.C19H19NO2.4CH4/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-19(2)27-26(24(28-31)15-13-20-9-5-3-6-10-20)23-17-22(30)14-16-25(23)29(27)18-21-11-7-4-8-12-21;2*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;1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22;1-13(2)19-17(12-21)16-10-15(22)8-9-18(16)20(19)11-14-6-4-3-5-7-14;;;;/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;3-12,14,16-17,19,30-31H,13,15,18H2,1-2H3;3-12,14-15,17,19,25,29-30H,13,16,18H2,1-2H3;3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3;3-10,12-13,22H,11H2,1-2H3;4*1H4/b;28-24+;;;;;;;;
InChIKeyLCVLLYUKOZDPAV-KQSRJWPBSA-N
XLogP39.80
TPSA256.38 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.31
LogP ≤ 539.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane?
The IUPAC name of 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane (CID 172959289) is 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane.
What is the SMILES notation for 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane?
The canonical SMILES for 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane is C.C.C.C.CC(C)c1c(/C(CCc2ccccc2)=N/O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.CC(C)c1c(C=O)c2cc(O)ccc2n1Cc1ccccc1.CC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane?
The InChIKey is LCVLLYUKOZDPAV-KQSRJWPBSA-N. The full InChI is InChI=1S/C32H37NO3.C27H28N2O2.C27H29NO2.C27H27NO2.C27H29NO.C19H19NO2.4CH4/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-19(2)27-26(24(28-31)15-13-20-9-5-3-6-10-20)23-17-22(30)14-16-25(23)29(27)18-21-11-7-4-8-12-21;2*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;1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22;1-13(2)19-17(12-21)16-10-15(22)8-9-18(16)20(19)11-14-6-4-3-5-7-14;;;;/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;3-12,14,16-17,19,30-31H,13,15,18H2,1-2H3;3-12,14-15,17,19,25,29-30H,13,16,18H2,1-2H3;3-12,14-15,17,19,29H,13,16,18H2,1-2H3;3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3;3-10,12-13,22H,11H2,1-2H3;4*1H4/b;28-24+;;;;;;;;.
What are the key properties of 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane?
1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane has a molecular weight of 2434.31 g/mol, XLogP of 39.80, 41 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-2-propan-2-ylindol-5-ol;1-benzyl-3-(1-hydroxy-3-phenylpropyl)-2-propan-2-ylindol-5-ol;1-benzyl-5-hydroxy-2-propan-2-ylindole-3-carbaldehyde;1-(1-benzyl-5-hydroxy-2-propan-2-ylindol-3-yl)-3-phenylpropan-1-one;1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol;methane is sourced from PubChem (CID 172959289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).