3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one

C27H24N2O3 — CID 156568746

IUPAC3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H24N2O3/c30-25(19-9-2-1-3-10-19)17-27(32)22-13-5-7-15-24(22)29(26(27)31)16-8-11-20-18-28-23-14-6-4-12-21(20)23/h1-7,9-10,12-15,18,28,32H,8,11,16-17H2
InChIKeyLWUBXGOULHZMNO-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.61
Rot. Bonds7

About 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one

3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one (PubChem CID 156568746) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
PubChem CID156568746
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1ccccc1
InChIInChI=1S/C27H24N2O3/c30-25(19-9-2-1-3-10-19)17-27(32)22-13-5-7-15-24(22)29(26(27)31)16-8-11-20-18-28-23-14-6-4-12-21(20)23/h1-7,9-10,12-15,18,28,32H,8,11,16-17H2
InChIKeyLWUBXGOULHZMNO-UHFFFAOYSA-N
XLogP4.61
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[3-(1H-indol-3-yl)propyl]indol-2-one
CID 156568807
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxopropyl)indol-2-one
CID 155378086
3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one
CID 158110521
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 142489436
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one?
The IUPAC name of 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one (CID 156568746) is 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one?
The canonical SMILES for 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one is O=C(CC1(O)C(=O)N(CCCc2c[nH]c3ccccc23)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one?
The InChIKey is LWUBXGOULHZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-25(19-9-2-1-3-10-19)17-27(32)22-13-5-7-15-24(22)29(26(27)31)16-8-11-20-18-28-23-14-6-4-12-21(20)23/h1-7,9-10,12-15,18,28,32H,8,11,16-17H2.
What are the key properties of 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one?
3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one has a molecular weight of 424.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[3-(1H-indol-3-yl)propyl]-3-phenacylindol-2-one is sourced from PubChem (CID 156568746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).