2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol

C18H19NO2 — CID 13408392

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol
SMILESCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C18H19NO2/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(20)7-5-13/h4-9,11,20-21H,3,10H2,1-2H3
InChIKeyBLNUVFAGJPPYLF-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol

2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol (PubChem CID 13408392) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol
PubChem CID13408392
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol
SMILESCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C18H19NO2/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(20)7-5-13/h4-9,11,20-21H,3,10H2,1-2H3
InChIKeyBLNUVFAGJPPYLF-UHFFFAOYSA-N
XLogP4.44
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol (CID 13408392) is 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol is CCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol?
The InChIKey is BLNUVFAGJPPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(20)7-5-13/h4-9,11,20-21H,3,10H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol?
2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol has a molecular weight of 281.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol is sourced from PubChem (CID 13408392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).