1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one

C23H18ClNO4 — CID 12004194

IUPAC1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H18ClNO4/c24-17-8-5-15(6-9-17)14-25-19-4-2-1-3-18(19)23(27,22(25)26)16-7-10-20-21(13-16)29-12-11-28-20/h1-10,13,27H,11-12,14H2
InChIKeyIHLYQXYXUNPCPO-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.89
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one

1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one (PubChem CID 12004194) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one
PubChem CID12004194
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H18ClNO4/c24-17-8-5-15(6-9-17)14-25-19-4-2-1-3-18(19)23(27,22(25)26)16-7-10-20-21(13-16)29-12-11-28-20/h1-10,13,27H,11-12,14H2
InChIKeyIHLYQXYXUNPCPO-UHFFFAOYSA-N
XLogP3.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one (CID 12004194) is 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one is O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one?
The InChIKey is IHLYQXYXUNPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c24-17-8-5-15(6-9-17)14-25-19-4-2-1-3-18(19)23(27,22(25)26)16-7-10-20-21(13-16)29-12-11-28-20/h1-10,13,27H,11-12,14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one?
1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one has a molecular weight of 407.85 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyindol-2-one is sourced from PubChem (CID 12004194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).