1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

C18H17NO2 — CID 537520

IUPAC1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)19-12(2)18(13(3)20)16-10-15(21)8-9-17(16)19/h4-10,21H,1-3H3
InChIKeyMGSCBXRDTPZALS-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.16
Rot. Bonds2

About 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (PubChem CID 537520) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
PubChem CID537520
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)19-12(2)18(13(3)20)16-10-15(21)8-9-17(16)19/h4-10,21H,1-3H3
InChIKeyMGSCBXRDTPZALS-UHFFFAOYSA-N
XLogP4.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The IUPAC name of 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (CID 537520) is 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12.
What is the InChIKey of 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
The InChIKey is MGSCBXRDTPZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)19-12(2)18(13(3)20)16-10-15(21)8-9-17(16)19/h4-10,21H,1-3H3.
What are the key properties of 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?
1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 537520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).