1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone

C18H17NO3 — CID 658914

IUPAC1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1
InChIInChI=1S/C18H17NO3/c1-11-18(12(2)20)16-10-14(21)6-9-17(16)19(11)13-4-7-15(22-3)8-5-13/h4-10,21H,1-3H3
InChIKeyZBYOXWZXVBQBBZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.86
Rot. Bonds3

About 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone

1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone (PubChem CID 658914) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone
PubChem CID658914
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1
InChIInChI=1S/C18H17NO3/c1-11-18(12(2)20)16-10-14(21)6-9-17(16)19(11)13-4-7-15(22-3)8-5-13/h4-10,21H,1-3H3
InChIKeyZBYOXWZXVBQBBZ-UHFFFAOYSA-N
XLogP3.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone (CID 658914) is 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone is COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1.
What is the InChIKey of 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone?
The InChIKey is ZBYOXWZXVBQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-18(12(2)20)16-10-14(21)6-9-17(16)19(11)13-4-7-15(22-3)8-5-13/h4-10,21H,1-3H3.
What are the key properties of 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone?
1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 658914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).