3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]

C24H21NO — CID 16638566

IUPAC3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1ccccc1O2
InChIInChI=1S/C24H21NO/c1-23(2)20-13-7-8-14-21(20)25(19-11-4-3-5-12-19)24(23)17-16-18-10-6-9-15-22(18)26-24/h3-17H,1-2H3
InChIKeyMGYHJPFDLNBGLM-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.92
Rot. Bonds1

About 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]

3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole] (PubChem CID 16638566) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]
PubChem CID16638566
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1ccccc1O2
InChIInChI=1S/C24H21NO/c1-23(2)20-13-7-8-14-21(20)25(19-11-4-3-5-12-19)24(23)17-16-18-10-6-9-15-22(18)26-24/h3-17H,1-2H3
InChIKeyMGYHJPFDLNBGLM-UHFFFAOYSA-N
XLogP5.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]?
The IUPAC name of 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole] (CID 16638566) is 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole].
What is the SMILES notation for 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]?
The canonical SMILES for 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole] is CC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1ccccc1O2.
What is the InChIKey of 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]?
The InChIKey is MGYHJPFDLNBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-23(2)20-13-7-8-14-21(20)25(19-11-4-3-5-12-19)24(23)17-16-18-10-6-9-15-22(18)26-24/h3-17H,1-2H3.
What are the key properties of 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]?
3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole] has a molecular weight of 339.44 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 16638566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).