1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

C20H18ClNO5 — CID 9178116

IUPAC1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H18ClNO5/c1-13(23)14-2-5-16(6-3-14)25-9-8-22-18-7-4-15(21)12-17(18)20(19(22)24)26-10-11-27-20/h2-7,12H,8-11H2,1H3
InChIKeyFDPFNJJDNCOOEF-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.17
Rot. Bonds5

About 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178116) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178116
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H18ClNO5/c1-13(23)14-2-5-16(6-3-14)25-9-8-22-18-7-4-15(21)12-17(18)20(19(22)24)26-10-11-27-20/h2-7,12H,8-11H2,1H3
InChIKeyFDPFNJJDNCOOEF-UHFFFAOYSA-N
XLogP3.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178116) is 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is CC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is FDPFNJJDNCOOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-13(23)14-2-5-16(6-3-14)25-9-8-22-18-7-4-15(21)12-17(18)20(19(22)24)26-10-11-27-20/h2-7,12H,8-11H2,1H3.
What are the key properties of 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 387.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).