3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol

C25H28N2O2 — CID 102450414

IUPAC3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(CCC3CCCCC3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C25H28N2O2/c28-17-7-10-24-20(12-17)22(14-26-24)19(9-6-16-4-2-1-3-5-16)23-15-27-25-11-8-18(29)13-21(23)25/h7-8,10-16,19,26-29H,1-6,9H2
InChIKeySUBCVWYVGMEBIM-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.55
Rot. Bonds5

About 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol

3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol (PubChem CID 102450414) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
PubChem CID102450414
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C(CCC3CCCCC3)c3c[nH]c4ccc(O)cc34)c2c1
InChIInChI=1S/C25H28N2O2/c28-17-7-10-24-20(12-17)22(14-26-24)19(9-6-16-4-2-1-3-5-16)23-15-27-25-11-8-18(29)13-21(23)25/h7-8,10-16,19,26-29H,1-6,9H2
InChIKeySUBCVWYVGMEBIM-UHFFFAOYSA-N
XLogP6.55
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
(E)-but-2-enedioic acid;3-(2-piperidin-4-ylethyl)-1H-indol-5-ol
CID 46905307
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole
CID 102450409
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid
CID 175403054
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
3-fluoro-1H-indol-5-ol
CID 105429509

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The IUPAC name of 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol (CID 102450414) is 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The canonical SMILES for 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C(CCC3CCCCC3)c3c[nH]c4ccc(O)cc34)c2c1.
What is the InChIKey of 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
The InChIKey is SUBCVWYVGMEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-17-7-10-24-20(12-17)22(14-26-24)19(9-6-16-4-2-1-3-5-16)23-15-27-25-11-8-18(29)13-21(23)25/h7-8,10-16,19,26-29H,1-6,9H2.
What are the key properties of 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol?
3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol has a molecular weight of 388.51 g/mol, XLogP of 6.55, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-1-(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol is sourced from PubChem (CID 102450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).