5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol

C24H23NO3 — CID 162658215

IUPAC5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
SMILESCOc1ccc2c(c1)C(C)(C)C1(C=Cc3c(ccc4ccc(O)cc34)O1)N2C
InChIInChI=1S/C24H23NO3/c1-23(2)20-14-17(27-4)8-9-21(20)25(3)24(23)12-11-18-19-13-16(26)7-5-15(19)6-10-22(18)28-24/h5-14,26H,1-4H3
InChIKeyGVSQKBSMNSSQNL-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.08
Rot. Bonds1

About 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol

5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol (PubChem CID 162658215) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol.

Molecular Properties

Compound Name5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
PubChem CID162658215
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
SMILESCOc1ccc2c(c1)C(C)(C)C1(C=Cc3c(ccc4ccc(O)cc34)O1)N2C
InChIInChI=1S/C24H23NO3/c1-23(2)20-14-17(27-4)8-9-21(20)25(3)24(23)12-11-18-19-13-16(26)7-5-15(19)6-10-22(18)28-24/h5-14,26H,1-4H3
InChIKeyGVSQKBSMNSSQNL-UHFFFAOYSA-N
XLogP5.08
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol 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 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The IUPAC name of 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol (CID 162658215) is 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol.
What is the SMILES notation for 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The canonical SMILES for 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol is COc1ccc2c(c1)C(C)(C)C1(C=Cc3c(ccc4ccc(O)cc34)O1)N2C.
What is the InChIKey of 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The InChIKey is GVSQKBSMNSSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-23(2)20-14-17(27-4)8-9-21(20)25(3)24(23)12-11-18-19-13-16(26)7-5-15(19)6-10-22(18)28-24/h5-14,26H,1-4H3.
What are the key properties of 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol has a molecular weight of 373.45 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol is sourced from PubChem (CID 162658215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).