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

C20H21NO2 — CID 3007722

IUPAC7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO2/c1-19(2)16-7-5-6-8-17(16)21(3)20(19)12-11-14-9-10-15(22-4)13-18(14)23-20/h5-13H,1-4H3
InChIKeyJZRSBOQDYDZQKK-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.22
Rot. Bonds1

About 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 3007722) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID3007722
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO2/c1-19(2)16-7-5-6-8-17(16)21(3)20(19)12-11-14-9-10-15(22-4)13-18(14)23-20/h5-13H,1-4H3
InChIKeyJZRSBOQDYDZQKK-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 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 3007722) is 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is COc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is JZRSBOQDYDZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-19(2)16-7-5-6-8-17(16)21(3)20(19)12-11-14-9-10-15(22-4)13-18(14)23-20/h5-13H,1-4H3.
What are the key properties of 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
7-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 7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 3007722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).