2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol

C21H23NO3 — CID 666429

IUPAC2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol
SMILESCOc1ccc2c(c1)C=CC1(O2)N(CCO)c2ccccc2C1(C)C
InChIInChI=1S/C21H23NO3/c1-20(2)17-6-4-5-7-18(17)22(12-13-23)21(20)11-10-15-14-16(24-3)8-9-19(15)25-21/h4-11,14,23H,12-13H2,1-3H3
InChIKeyWCLXPBHKDKKIGY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.59
Rot. Bonds3

About 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol

2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol (PubChem CID 666429) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol.

Molecular Properties

Compound Name2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol
PubChem CID666429
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol
SMILESCOc1ccc2c(c1)C=CC1(O2)N(CCO)c2ccccc2C1(C)C
InChIInChI=1S/C21H23NO3/c1-20(2)17-6-4-5-7-18(17)22(12-13-23)21(20)11-10-15-14-16(24-3)8-9-19(15)25-21/h4-11,14,23H,12-13H2,1-3H3
InChIKeyWCLXPBHKDKKIGY-UHFFFAOYSA-N
XLogP3.59
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol?
The IUPAC name of 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol (CID 666429) is 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol.
What is the SMILES notation for 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol?
The canonical SMILES for 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol is COc1ccc2c(c1)C=CC1(O2)N(CCO)c2ccccc2C1(C)C.
What is the InChIKey of 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol?
The InChIKey is WCLXPBHKDKKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-20(2)17-6-4-5-7-18(17)22(12-13-23)21(20)11-10-15-14-16(24-3)8-9-19(15)25-21/h4-11,14,23H,12-13H2,1-3H3.
What are the key properties of 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol?
2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol has a molecular weight of 337.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethanol is sourced from PubChem (CID 666429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).