2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol

C20H23NO2 — CID 13408397

IUPAC2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol
SMILESCCCc1c(-c2ccc(O)cc2)n(CCC)c2ccc(O)cc12
InChIInChI=1S/C20H23NO2/c1-3-5-17-18-13-16(23)10-11-19(18)21(12-4-2)20(17)14-6-8-15(22)9-7-14/h6-11,13,22-23H,3-5,12H2,1-2H3
InChIKeyVBYQKPXMZLZSOE-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol

2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol (PubChem CID 13408397) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol
PubChem CID13408397
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol
SMILESCCCc1c(-c2ccc(O)cc2)n(CCC)c2ccc(O)cc12
InChIInChI=1S/C20H23NO2/c1-3-5-17-18-13-16(23)10-11-19(18)21(12-4-2)20(17)14-6-8-15(22)9-7-14/h6-11,13,22-23H,3-5,12H2,1-2H3
InChIKeyVBYQKPXMZLZSOE-UHFFFAOYSA-N
XLogP5.08
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol (CID 13408397) is 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol is CCCc1c(-c2ccc(O)cc2)n(CCC)c2ccc(O)cc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol?
The InChIKey is VBYQKPXMZLZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-5-17-18-13-16(23)10-11-19(18)21(12-4-2)20(17)14-6-8-15(22)9-7-14/h6-11,13,22-23H,3-5,12H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol?
2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol has a molecular weight of 309.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1,3-dipropylindol-5-ol is sourced from PubChem (CID 13408397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).