2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol

C21H23NO2 — CID 167694327

IUPAC2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
SMILESCc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3ccccc3O1)N2CCO
InChIInChI=1S/C21H23NO2/c1-15-8-9-18-17(14-15)20(2,3)21(22(18)12-13-23)11-10-16-6-4-5-7-19(16)24-21/h4-11,14,23H,12-13H2,1-3H3/t21-/m1/s1
InChIKeyMEXOXXNCKUYQAQ-OAQYLSRUSA-N
MW321.42 g/mol
LogP3.89
Rot. Bonds2

About 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol

2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol (PubChem CID 167694327) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
PubChem CID167694327
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
SMILESCc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3ccccc3O1)N2CCO
InChIInChI=1S/C21H23NO2/c1-15-8-9-18-17(14-15)20(2,3)21(22(18)12-13-23)11-10-16-6-4-5-7-19(16)24-21/h4-11,14,23H,12-13H2,1-3H3/t21-/m1/s1
InChIKeyMEXOXXNCKUYQAQ-OAQYLSRUSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3',3'-dimethyl-6'-nitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
CID 54462986
2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
CID 1100889
6-(3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl)hexanoic acid
CID 18684288
2-[(2R)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate;bis(sulfur trioxide);bis(2-[(2R)-3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate)
CID 167590455
2-(3',3',5'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide
CID 4031054
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719
phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone
CID 165164710
(2S)-1'-dodecyl-N-hydroxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-amine oxide
CID 163125736
diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167651859
2-(8-bromo-3',3'-dimethyl-5',6-dinitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
CID 3104860
5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
CID 89247321
(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167695967

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The IUPAC name of 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol (CID 167694327) is 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol.
What is the SMILES notation for 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The canonical SMILES for 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol is Cc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3ccccc3O1)N2CCO.
What is the InChIKey of 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The InChIKey is MEXOXXNCKUYQAQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-8-9-18-17(14-15)20(2,3)21(22(18)12-13-23)11-10-16-6-4-5-7-19(16)24-21/h4-11,14,23H,12-13H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol has a molecular weight of 321.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol is sourced from PubChem (CID 167694327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).