3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one

C20H23NO3 — CID 30335

IUPAC3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one
SMILESCC(O)CC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3
InChIKeyANXFYQLOZMIJFZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds5

About 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one

3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one (PubChem CID 30335) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one.

Molecular Properties

Compound Name3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one
PubChem CID30335
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one
SMILESCC(O)CC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3
InChIKeyANXFYQLOZMIJFZ-UHFFFAOYSA-N
XLogP3.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one?
The IUPAC name of 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one (CID 30335) is 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one.
What is the SMILES notation for 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one?
The canonical SMILES for 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one is CC(O)CC1(CC(C)O)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one?
The InChIKey is ANXFYQLOZMIJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3.
What are the key properties of 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one?
3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one is sourced from PubChem (CID 30335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).