1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one

C21H23NO3 — CID 142084555

IUPAC1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one
SMILESCCOc1ccc(C(O)n2c(C)cc3c(CC(C)=O)cccc32)cc1
InChIInChI=1S/C21H23NO3/c1-4-25-18-10-8-16(9-11-18)21(24)22-14(2)12-19-17(13-15(3)23)6-5-7-20(19)22/h5-12,21,24H,4,13H2,1-3H3
InChIKeyQLZAGKKJERODEQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.02
Rot. Bonds6

About 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one

1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one (PubChem CID 142084555) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one
PubChem CID142084555
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one
SMILESCCOc1ccc(C(O)n2c(C)cc3c(CC(C)=O)cccc32)cc1
InChIInChI=1S/C21H23NO3/c1-4-25-18-10-8-16(9-11-18)21(24)22-14(2)12-19-17(13-15(3)23)6-5-7-20(19)22/h5-12,21,24H,4,13H2,1-3H3
InChIKeyQLZAGKKJERODEQ-UHFFFAOYSA-N
XLogP4.02
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-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

1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
1-[2-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640944
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-(2-ethoxy-3-nitrophenyl)propan-2-one
CID 118824526
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
amino-(4-ethoxyphenyl)methanol
CID 116939610
4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]benzenesulfonamide
CID 119057445

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one?
The IUPAC name of 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one (CID 142084555) is 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one is CCOc1ccc(C(O)n2c(C)cc3c(CC(C)=O)cccc32)cc1.
What is the InChIKey of 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one?
The InChIKey is QLZAGKKJERODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-25-18-10-8-16(9-11-18)21(24)22-14(2)12-19-17(13-15(3)23)6-5-7-20(19)22/h5-12,21,24H,4,13H2,1-3H3.
What are the key properties of 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one?
1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethoxyphenyl)-hydroxymethyl]-2-methylindol-4-yl]propan-2-one is sourced from PubChem (CID 142084555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).