(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one

C18H17NO — CID 102472553

IUPAC(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17NO/c1-13(11-18(20)14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)19-17/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyUIHUQAXLABUHQI-CYBMUJFWSA-N
MW263.34 g/mol
LogP4.54
Rot. Bonds4

About (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one

(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one (PubChem CID 102472553) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
PubChem CID102472553
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one
SMILESC[C@H](CC(=O)c1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H17NO/c1-13(11-18(20)14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)19-17/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyUIHUQAXLABUHQI-CYBMUJFWSA-N
XLogP4.54
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
CID 50901499
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
2-(1H-indol-2-yl)-3-methylpentanoic acid
CID 146350341
methyl (3S)-3-(1H-indol-2-yl)-3-phenylpropanoate
CID 102574001
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
2-(1H-indol-2-yl)propanal
CID 88965178
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2-acetamido-3-(1H-indol-2-yl)butanoic acid
CID 13400352
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one?
The IUPAC name of (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one (CID 102472553) is (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one.
What is the SMILES notation for (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one?
The canonical SMILES for (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one is C[C@H](CC(=O)c1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one?
The InChIKey is UIHUQAXLABUHQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(11-18(20)14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)19-17/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one?
(3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-2-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 102472553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).