5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]

C21H20F3NO2 — CID 132580346

IUPAC5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(F)(F)F)ccc3O1)N2C
InChIInChI=1S/C21H20F3NO2/c1-19(2)16-12-15(26-4)6-7-17(16)25(3)20(19)10-9-13-11-14(21(22,23)24)5-8-18(13)27-20/h5-12H,1-4H3
InChIKeyHQXIPOKHLCJCBC-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.24
Rot. Bonds1

About 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]

5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole] (PubChem CID 132580346) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]
PubChem CID132580346
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(F)(F)F)ccc3O1)N2C
InChIInChI=1S/C21H20F3NO2/c1-19(2)16-12-15(26-4)6-7-17(16)25(3)20(19)10-9-13-11-14(21(22,23)24)5-8-18(13)27-20/h5-12H,1-4H3
InChIKeyHQXIPOKHLCJCBC-UHFFFAOYSA-N
XLogP5.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-yl]acetate
CID 170384327
2,2-dichloro-1-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-yl]propan-1-one
CID 170384952
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 6581587
[6-(2,4-dimethoxybenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl]-phenylmethanone
CID 165164664
1'-butyl-5'-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 138621040
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-ol
CID 14766372
(2R)-6-bromo-1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 7360783
7-methoxy-1',3',3',5'-tetramethyl-6-nitrospiro[chromene-2,2'-indole]
CID 19084028
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631
(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167695967
2-(5'-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethyl 2-chloroacetate
CID 101435752
1-(6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)pyrrolidine-2,5-dione
CID 13008171

Frequently Asked Questions

What is the IUPAC name of 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]?
The IUPAC name of 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole] (CID 132580346) is 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole].
What is the SMILES notation for 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]?
The canonical SMILES for 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole] is COc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(F)(F)F)ccc3O1)N2C.
What is the InChIKey of 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]?
The InChIKey is HQXIPOKHLCJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-19(2)16-12-15(26-4)6-7-17(16)25(3)20(19)10-9-13-11-14(21(22,23)24)5-8-18(13)27-20/h5-12H,1-4H3.
What are the key properties of 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole]?
5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole] has a molecular weight of 375.39 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methoxy-1',3',3'-trimethyl-6-(trifluoromethyl)spiro[chromene-2,2'-indole] is sourced from PubChem (CID 132580346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).