8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C20H21NO2 — CID 2841117

IUPAC8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1cccc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO2/c1-19(2)15-9-5-6-10-16(15)21(3)20(19)13-12-14-8-7-11-17(22-4)18(14)23-20/h5-13H,1-4H3
InChIKeyNQVQBIMDDKDYAO-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.22
Rot. Bonds1

About 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 2841117) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID2841117
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1cccc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO2/c1-19(2)15-9-5-6-10-16(15)21(3)20(19)13-12-14-8-7-11-17(22-4)18(14)23-20/h5-13H,1-4H3
InChIKeyNQVQBIMDDKDYAO-UHFFFAOYSA-N
XLogP4.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 2841117) is 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is COc1cccc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is NQVQBIMDDKDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-19(2)15-9-5-6-10-16(15)21(3)20(19)13-12-14-8-7-11-17(22-4)18(14)23-20/h5-13H,1-4H3.
What are the key properties of 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 307.39 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 2841117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).