7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one

C27H26FNO3 — CID 56967527

IUPAC7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H26FNO3/c1-4-31-20-13-14-22-24(15-20)32-26(2,3)17-27(22)21-7-5-6-8-23(21)29(25(27)30)16-18-9-11-19(28)12-10-18/h5-15H,4,16-17H2,1-3H3
InChIKeyFQNMUCVHRJPSSG-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.62
Rot. Bonds4

About 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one

7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one (PubChem CID 56967527) has the molecular formula C27H26FNO3 and a molecular weight of 431.51 g/mol. Its IUPAC name is 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
PubChem CID56967527
Molecular FormulaC27H26FNO3
Molecular Weight431.51 g/mol
Exact Mass431.19
IUPAC Name7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H26FNO3/c1-4-31-20-13-14-22-24(15-20)32-26(2,3)17-27(22)21-7-5-6-8-23(21)29(25(27)30)16-18-9-11-19(28)12-10-18/h5-15H,4,16-17H2,1-3H3
InChIKeyFQNMUCVHRJPSSG-UHFFFAOYSA-N
XLogP5.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-ethoxy-2,2-dimethyl-2'-oxospiro[3H-chromene-4,3'-indole]-1'-yl)methyl]benzonitrile
CID 56967647
7-ethoxy-2,2-dimethyl-1'-[2-(2-oxopyrrolidin-1-yl)ethyl]spiro[3H-chromene-4,3'-indole]-2'-one
CID 56967956
6,7-diethoxy-2,2-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-chromene-4,3'-indole]-2'-one
CID 56967168
1'-benzhydryl-2,2-dimethyl-7-propan-2-yloxyspiro[3H-chromene-4,3'-indole]-2'-one
CID 123637195
7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
CID 56967283
2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one
CID 56967113
3-benzylsulfanyl-4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110546925
1'-(pyridin-3-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263507
1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
2-(6-ethoxy-1,3-benzothiazol-2-yl)-1'-[(4-fluorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869771
1'-(pyridin-2-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642616

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The IUPAC name of 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one (CID 56967527) is 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one.
What is the SMILES notation for 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The canonical SMILES for 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one is CCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The InChIKey is FQNMUCVHRJPSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO3/c1-4-31-20-13-14-22-24(15-20)32-26(2,3)17-27(22)21-7-5-6-8-23(21)29(25(27)30)16-18-9-11-19(28)12-10-18/h5-15H,4,16-17H2,1-3H3.
What are the key properties of 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one has a molecular weight of 431.51 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1'-[(4-fluorophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one is sourced from PubChem (CID 56967527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).