(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C24H23NO2 — CID 6581587

IUPAC(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCOc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3c(ccc4ccccc34)O1)N2C
InChIInChI=1S/C24H23NO2/c1-23(2)20-15-17(26-4)10-11-21(20)25(3)24(23)14-13-19-18-8-6-5-7-16(18)9-12-22(19)27-24/h5-15H,1-4H3/t24-/m1/s1
InChIKeyNQATYCIDEOBKIP-XMMPIXPASA-N
MW357.45 g/mol
LogP5.38
Rot. Bonds1

About (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 6581587) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID6581587
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCOc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3c(ccc4ccccc34)O1)N2C
InChIInChI=1S/C24H23NO2/c1-23(2)20-15-17(26-4)10-11-21(20)25(3)24(23)14-13-19-18-8-6-5-7-16(18)9-12-22(19)27-24/h5-15H,1-4H3/t24-/m1/s1
InChIKeyNQATYCIDEOBKIP-XMMPIXPASA-N
XLogP5.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] 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 (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 6581587) is (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3c(ccc4ccccc34)O1)N2C.
What is the InChIKey of (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is NQATYCIDEOBKIP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23NO2/c1-23(2)20-15-17(26-4)10-11-21(20)25(3)24(23)14-13-19-18-8-6-5-7-16(18)9-12-22(19)27-24/h5-15H,1-4H3/t24-/m1/s1.
What are the key properties of (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 357.45 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 6581587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).