(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol

C19H19NO2 — CID 726983

IUPAC(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol
SMILESCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(O)ccc1O2
InChIInChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3/t19-/m1/s1
InChIKeyUHRBDHPBCHWWAG-LJQANCHMSA-N
MW293.37 g/mol
LogP3.92
Rot. Bonds

About (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol

(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol (PubChem CID 726983) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol.

Molecular Properties

Compound Name(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol
PubChem CID726983
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol
SMILESCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(O)ccc1O2
InChIInChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3/t19-/m1/s1
InChIKeyUHRBDHPBCHWWAG-LJQANCHMSA-N
XLogP3.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol?
The IUPAC name of (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol (CID 726983) is (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol.
What is the SMILES notation for (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol?
The canonical SMILES for (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol is CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(O)ccc1O2.
What is the InChIKey of (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol?
The InChIKey is UHRBDHPBCHWWAG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol?
(2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol has a molecular weight of 293.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol is sourced from PubChem (CID 726983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).