1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H25NO5 — CID 9177985

IUPAC1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCOc1ccc(OCCCN2C(=O)C3(OCCO3)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C22H25NO5/c1-15-5-6-16(2)20-19(15)22(27-13-14-28-22)21(24)23(20)11-4-12-26-18-9-7-17(25-3)8-10-18/h5-10H,4,11-14H2,1-3H3
InChIKeyAQAGRQSJCLADIP-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.33
Rot. Bonds6

About 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177985) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177985
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCOc1ccc(OCCCN2C(=O)C3(OCCO3)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C22H25NO5/c1-15-5-6-16(2)20-19(15)22(27-13-14-28-22)21(24)23(20)11-4-12-26-18-9-7-17(25-3)8-10-18/h5-10H,4,11-14H2,1-3H3
InChIKeyAQAGRQSJCLADIP-UHFFFAOYSA-N
XLogP3.33
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4',7'-dimethyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177969
1'-[3-(4-methoxyphenoxy)propyl]-5',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178043
4',7'-dimethyl-1'-(2-phenoxyethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177487
7'-methyl-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177923
1'-[3-(4-methoxyphenoxy)propyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177863
4',7'-dimethyl-1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177481
4',7'-dimethyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9150164
7'-methyl-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177909
7'-chloro-1'-[3-(4-methylphenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178183
4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178218
2-(4',7'-dimethyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetonitrile
CID 9177945
1'-[(4-butoxy-3-methoxyphenyl)methyl]-4',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177486

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177985) is 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is COc1ccc(OCCCN2C(=O)C3(OCCO3)c3c(C)ccc(C)c32)cc1.
What is the InChIKey of 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is AQAGRQSJCLADIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15-5-6-16(2)20-19(15)22(27-13-14-28-22)21(24)23(20)11-4-12-26-18-9-7-17(25-3)8-10-18/h5-10H,4,11-14H2,1-3H3.
What are the key properties of 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 383.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-methoxyphenoxy)propyl]-4',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).