7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C20H20ClNO2 — CID 19083823

IUPAC7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1cccc2c1N(C)C1(C=Cc3ccc(Cl)cc3O1)C2(C)C
InChIInChI=1S/C20H20ClNO2/c1-19(2)15-6-5-7-16(23-4)18(15)22(3)20(19)11-10-13-8-9-14(21)12-17(13)24-20/h5-12H,1-4H3
InChIKeyJVEVBDOURINLNJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.88
Rot. Bonds1

About 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 19083823) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID19083823
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1cccc2c1N(C)C1(C=Cc3ccc(Cl)cc3O1)C2(C)C
InChIInChI=1S/C20H20ClNO2/c1-19(2)15-6-5-7-16(23-4)18(15)22(3)20(19)11-10-13-8-9-14(21)12-17(13)24-20/h5-12H,1-4H3
InChIKeyJVEVBDOURINLNJ-UHFFFAOYSA-N
XLogP4.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 19083823) is 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is COc1cccc2c1N(C)C1(C=Cc3ccc(Cl)cc3O1)C2(C)C.
What is the InChIKey of 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is JVEVBDOURINLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-19(2)15-6-5-7-16(23-4)18(15)22(3)20(19)11-10-13-8-9-14(21)12-17(13)24-20/h5-12H,1-4H3.
What are the key properties of 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 341.84 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-7'-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19083823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).