3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone

C30H35NO2 — CID 143405683

IUPAC3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(C(C)C)c2)c1.CC(CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20O.C12H15NO/c1-12(2)15-6-5-7-17(10-15)18-11-16(14(4)19)9-8-13(18)3;1-9(8-14)6-10-7-13-12-5-3-2-4-11(10)12/h5-12H,1-4H3;2-5,7,9,13-14H,6,8H2,1H3
InChIKeyBUHSFTHUAOHLAD-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.33
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone

3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone (PubChem CID 143405683) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone
PubChem CID143405683
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Name3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(C(C)C)c2)c1.CC(CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20O.C12H15NO/c1-12(2)15-6-5-7-17(10-15)18-11-16(14(4)19)9-8-13(18)3;1-9(8-14)6-10-7-13-12-5-3-2-4-11(10)12/h5-12H,1-4H3;2-5,7,9,13-14H,6,8H2,1H3
InChIKeyBUHSFTHUAOHLAD-UHFFFAOYSA-N
XLogP7.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone with MolForge

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Related Compounds

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-methyl-3-(3-propan-2-ylphenyl)benzamide
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5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
3-(1H-indol-3-yl)-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoic acid
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ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960199
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573504
2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 74988650

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone?
The IUPAC name of 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone (CID 143405683) is 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone is CC(=O)c1ccc(C)c(-c2cccc(C(C)C)c2)c1.CC(CO)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone?
The InChIKey is BUHSFTHUAOHLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.C12H15NO/c1-12(2)15-6-5-7-17(10-15)18-11-16(14(4)19)9-8-13(18)3;1-9(8-14)6-10-7-13-12-5-3-2-4-11(10)12/h5-12H,1-4H3;2-5,7,9,13-14H,6,8H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone?
3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone has a molecular weight of 441.62 g/mol, XLogP of 7.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone is sourced from PubChem (CID 143405683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).