1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one

C19H19NO2 — CID 143156217

IUPAC1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
SMILESCCC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C
InChIInChI=1S/C19H19NO2/c1-3-18(21)19-13(2)16-11-15(9-10-17(16)20-19)22-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3
InChIKeyJSULKERKBRPDLZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.65
Rot. Bonds5

About 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one

1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one (PubChem CID 143156217) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
PubChem CID143156217
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
SMILESCCC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C
InChIInChI=1S/C19H19NO2/c1-3-18(21)19-13(2)16-11-15(9-10-17(16)20-19)22-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3
InChIKeyJSULKERKBRPDLZ-UHFFFAOYSA-N
XLogP4.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379
tert-butyl 3-acetyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 18677983
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
1-(5-benzyl-3-methyl-1H-indol-2-yl)butan-1-one;ethane
CID 143773476
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxylic acid
CID 174324052
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
5,11-dimethyl-9-phenylmethoxy-2,6-dihydropyrido[4,3-b]carbazol-1-one
CID 46897130
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58172045
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one?
The IUPAC name of 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one (CID 143156217) is 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one is CCC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C.
What is the InChIKey of 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one?
The InChIKey is JSULKERKBRPDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-18(21)19-13(2)16-11-15(9-10-17(16)20-19)22-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one?
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 143156217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).