1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

C20H18ClNO5 — CID 9178173

IUPAC1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(Cl)c32)cc1
InChIInChI=1S/C20H18ClNO5/c1-13(23)14-5-7-15(8-6-14)25-10-9-22-18-16(3-2-4-17(18)21)20(19(22)24)26-11-12-27-20/h2-8H,9-12H2,1H3
InChIKeyTYHVUFVSMQFKTH-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.17
Rot. Bonds5

About 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178173) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178173
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(Cl)c32)cc1
InChIInChI=1S/C20H18ClNO5/c1-13(23)14-5-7-15(8-6-14)25-10-9-22-18-16(3-2-4-17(18)21)20(19(22)24)26-11-12-27-20/h2-8H,9-12H2,1H3
InChIKeyTYHVUFVSMQFKTH-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]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178173) is 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is CC(=O)c1ccc(OCCN2C(=O)C3(OCCO3)c3cccc(Cl)c32)cc1.
What is the InChIKey of 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is TYHVUFVSMQFKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-13(23)14-5-7-15(8-6-14)25-10-9-22-18-16(3-2-4-17(18)21)20(19(22)24)26-11-12-27-20/h2-8H,9-12H2,1H3.
What are the key properties of 1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(4-acetylphenoxy)ethyl]-7'-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]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).