1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one

C18H17NO — CID 174735323

IUPAC1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
SMILESCCC(=O)c1cc(C)ccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H17NO/c1-3-18(20)15-10-12(2)8-9-13(15)16-11-19-17-7-5-4-6-14(16)17/h4-11,19H,3H2,1-2H3
InChIKeyPISMYSMZDSYGNA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.74
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one

1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one (PubChem CID 174735323) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
PubChem CID174735323
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
SMILESCCC(=O)c1cc(C)ccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H17NO/c1-3-18(20)15-10-12(2)8-9-13(15)16-11-19-17-7-5-4-6-14(16)17/h4-11,19H,3H2,1-2H3
InChIKeyPISMYSMZDSYGNA-UHFFFAOYSA-N
XLogP4.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
2-[2-(1H-indol-3-yl)ethylamino]-5-methylbenzoic acid
CID 170655465
4-(2,5-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CID 13077495
2-(4-methyl-2-propanoylphenyl)acetic acid
CID 134628481
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one (CID 174735323) is 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one is CCC(=O)c1cc(C)ccc1-c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one?
The InChIKey is PISMYSMZDSYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-18(20)15-10-12(2)8-9-13(15)16-11-19-17-7-5-4-6-14(16)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one?
1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one is sourced from PubChem (CID 174735323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).