2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol

C26H25NO3 — CID 13297987

IUPAC2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol
SMILESCOc1ccc(C2=CC3(c4ccc(O)cc4O2)N(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H25NO3/c1-25(2)20-7-5-6-8-22(20)27(3)26(25)16-24(17-9-12-19(29-4)13-10-17)30-23-15-18(28)11-14-21(23)26/h5-16,28H,1-4H3
InChIKeyXIQFRJVROIHEJE-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.46
Rot. Bonds2

About 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol

2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol (PubChem CID 13297987) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol
PubChem CID13297987
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol
SMILESCOc1ccc(C2=CC3(c4ccc(O)cc4O2)N(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C26H25NO3/c1-25(2)20-7-5-6-8-22(20)27(3)26(25)16-24(17-9-12-19(29-4)13-10-17)30-23-15-18(28)11-14-21(23)26/h5-16,28H,1-4H3
InChIKeyXIQFRJVROIHEJE-UHFFFAOYSA-N
XLogP5.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol (CID 13297987) is 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol is COc1ccc(C2=CC3(c4ccc(O)cc4O2)N(C)c2ccccc2C3(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol?
The InChIKey is XIQFRJVROIHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-25(2)20-7-5-6-8-22(20)27(3)26(25)16-24(17-9-12-19(29-4)13-10-17)30-23-15-18(28)11-14-21(23)26/h5-16,28H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol?
2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol has a molecular weight of 399.49 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1',3',3'-trimethylspiro[chromene-4,2'-indole]-7-ol is sourced from PubChem (CID 13297987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).