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

C20H20ClNO2 — CID 3007723

IUPAC5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)OC1(C=C2)N(C)c2ccc(Cl)cc2C1(C)C
InChIInChI=1S/C20H20ClNO2/c1-19(2)16-11-14(21)6-8-17(16)22(3)20(19)10-9-13-5-7-15(23-4)12-18(13)24-20/h5-12H,1-4H3
InChIKeyAOTKXFDRKZEVLV-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.88
Rot. Bonds1

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

5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 3007723) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID3007723
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCOc1ccc2c(c1)OC1(C=C2)N(C)c2ccc(Cl)cc2C1(C)C
InChIInChI=1S/C20H20ClNO2/c1-19(2)16-11-14(21)6-8-17(16)22(3)20(19)10-9-13-5-7-15(23-4)12-18(13)24-20/h5-12H,1-4H3
InChIKeyAOTKXFDRKZEVLV-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 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 3007723) is 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is COc1ccc2c(c1)OC1(C=C2)N(C)c2ccc(Cl)cc2C1(C)C.
What is the InChIKey of 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is AOTKXFDRKZEVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-19(2)16-11-14(21)6-8-17(16)22(3)20(19)10-9-13-5-7-15(23-4)12-18(13)24-20/h5-12H,1-4H3.
What are the key properties of 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
5'-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 5'-chloro-7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 3007723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).