4-(1H-indol-3-yl)-1-phenylbutan-1-one

C18H17NO — CID 101437539

IUPAC4-(1H-indol-3-yl)-1-phenylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(14-7-2-1-3-8-14)12-6-9-15-13-19-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19H,6,9,12H2
InChIKeyCEKJMOMIUVOOOQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.37
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-phenylbutan-1-one

4-(1H-indol-3-yl)-1-phenylbutan-1-one (PubChem CID 101437539) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-phenylbutan-1-one
PubChem CID101437539
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(1H-indol-3-yl)-1-phenylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(14-7-2-1-3-8-14)12-6-9-15-13-19-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19H,6,9,12H2
InChIKeyCEKJMOMIUVOOOQ-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
4-(1H-indol-3-yl)butanamide
CID 588715
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)ethyl-dimethyl-phenacylazanium
CID 11336833
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
5-(1H-indol-3-yl)-1-phenylpentane-2-thione
CID 58171080
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-phenylbutan-1-one (CID 101437539) is 4-(1H-indol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-phenylbutan-1-one is O=C(CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-phenylbutan-1-one?
The InChIKey is CEKJMOMIUVOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(14-7-2-1-3-8-14)12-6-9-15-13-19-17-11-5-4-10-16(15)17/h1-5,7-8,10-11,13,19H,6,9,12H2.
What are the key properties of 4-(1H-indol-3-yl)-1-phenylbutan-1-one?
4-(1H-indol-3-yl)-1-phenylbutan-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 101437539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).