1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C20H21NO5 — CID 3161643

IUPAC1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccccc1OCCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C20H21NO5/c1-23-17-9-4-5-10-18(17)24-14-11-21-16-8-3-2-7-15(16)20(19(21)22)25-12-6-13-26-20/h2-5,7-10H,6,11-14H2,1H3
InChIKeyHOTZHGZVUGZONO-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.71
Rot. Bonds5

About 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 3161643) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID3161643
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccccc1OCCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C20H21NO5/c1-23-17-9-4-5-10-18(17)24-14-11-21-16-8-3-2-7-15(16)20(19(21)22)25-12-6-13-26-20/h2-5,7-10H,6,11-14H2,1H3
InChIKeyHOTZHGZVUGZONO-UHFFFAOYSA-N
XLogP2.71
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884281
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884280
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
5'-methyl-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177856
5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 6457027
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914854
1'-[3-(3-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177799

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 3161643) is 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccccc1OCCN1C(=O)C2(OCCCO2)c2ccccc21.
What is the InChIKey of 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is HOTZHGZVUGZONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-17-9-4-5-10-18(17)24-14-11-21-16-8-3-2-7-15(16)20(19(21)22)25-12-6-13-26-20/h2-5,7-10H,6,11-14H2,1H3.
What are the key properties of 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 355.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 3161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).