4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H17Cl2NO4 — CID 9178218

IUPAC4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(OCCN2C(=O)C3(OCCO3)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-12-2-4-13(5-3-12)24-9-8-22-17-15(21)7-6-14(20)16(17)19(18(22)23)25-10-11-26-19/h2-7H,8-11H2,1H3
InChIKeyGICBDUNECJKXGP-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.93
Rot. Bonds4

About 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178218) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178218
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc(OCCN2C(=O)C3(OCCO3)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-12-2-4-13(5-3-12)24-9-8-22-17-15(21)7-6-14(20)16(17)19(18(22)23)25-10-11-26-19/h2-7H,8-11H2,1H3
InChIKeyGICBDUNECJKXGP-UHFFFAOYSA-N
XLogP3.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178218) is 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc(OCCN2C(=O)C3(OCCO3)c3c(Cl)ccc(Cl)c32)cc1.
What is the InChIKey of 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is GICBDUNECJKXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-12-2-4-13(5-3-12)24-9-8-22-17-15(21)7-6-14(20)16(17)19(18(22)23)25-10-11-26-19/h2-7H,8-11H2,1H3.
What are the key properties of 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 394.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).