5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H17Cl2NO — CID 19084092

IUPAC5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(Cl)cc(Cl)cc1O2
InChIInChI=1S/C19H17Cl2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-13-15(21)10-12(20)11-17(13)23-19/h4-11H,1-3H3
InChIKeyWJJXTJUPTJSJSL-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.52
Rot. Bonds

About 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 19084092) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID19084092
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(Cl)cc(Cl)cc1O2
InChIInChI=1S/C19H17Cl2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-13-15(21)10-12(20)11-17(13)23-19/h4-11H,1-3H3
InChIKeyWJJXTJUPTJSJSL-UHFFFAOYSA-N
XLogP5.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 19084092) is 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1c(Cl)cc(Cl)cc1O2.
What is the InChIKey of 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is WJJXTJUPTJSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-13-15(21)10-12(20)11-17(13)23-19/h4-11H,1-3H3.
What are the key properties of 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 346.26 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).