1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

C25H23NO4 — CID 67356789

IUPAC1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCN1CC2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C25H23NO4/c1-26-15-25(16-30-21-13-23-22(12-18(21)25)27-10-11-28-23)24-19(26)8-5-9-20(24)29-14-17-6-3-2-4-7-17/h2-9,12-13H,10-11,14-16H2,1H3
InChIKeyNLUQCNFVGBBTHP-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]

1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (PubChem CID 67356789) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].

Molecular Properties

Compound Name1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
PubChem CID67356789
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
SMILESCN1CC2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C25H23NO4/c1-26-15-25(16-30-21-13-23-22(12-18(21)25)27-10-11-28-23)24-19(26)8-5-9-20(24)29-14-17-6-3-2-4-7-17/h2-9,12-13H,10-11,14-16H2,1H3
InChIKeyNLUQCNFVGBBTHP-UHFFFAOYSA-N
XLogP4.17
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The IUPAC name of 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] (CID 67356789) is 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine].
What is the SMILES notation for 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The canonical SMILES for 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is CN1CC2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
The InChIKey is NLUQCNFVGBBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-26-15-25(16-30-21-13-23-22(12-18(21)25)27-10-11-28-23)24-19(26)8-5-9-20(24)29-14-17-6-3-2-4-7-17/h2-9,12-13H,10-11,14-16H2,1H3.
What are the key properties of 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]?
1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] has a molecular weight of 401.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylmethoxyspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine] is sourced from PubChem (CID 67356789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).