1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one

C18H17NO3 — CID 149029934

IUPAC1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)c1c(O)cccc1O
InChIInChI=1S/C18H17NO3/c20-15(18-16(21)9-4-10-17(18)22)8-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,4,6-7,9-11,19,21-22H,3,5,8H2
InChIKeyQFGASHJQIMORDB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.78
Rot. Bonds5

About 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one

1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one (PubChem CID 149029934) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
PubChem CID149029934
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)c1c(O)cccc1O
InChIInChI=1S/C18H17NO3/c20-15(18-16(21)9-4-10-17(18)22)8-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,4,6-7,9-11,19,21-22H,3,5,8H2
InChIKeyQFGASHJQIMORDB-UHFFFAOYSA-N
XLogP3.78
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
4-(1H-indol-3-yl)butanamide
CID 588715
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
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
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one (CID 149029934) is 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one is O=C(CCCc1c[nH]c2ccccc12)c1c(O)cccc1O.
What is the InChIKey of 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one?
The InChIKey is QFGASHJQIMORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-15(18-16(21)9-4-10-17(18)22)8-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,4,6-7,9-11,19,21-22H,3,5,8H2.
What are the key properties of 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one?
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one has a molecular weight of 295.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 149029934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).