2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol

C23H27NO2 — CID 46850504

IUPAC2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H](c2cn(C)c3ccccc23)[C@H]2CCC(C)(C)O2)c1
InChIInChI=1S/C23H27NO2/c1-15-9-10-20(25)17(13-15)22(21-11-12-23(2,3)26-21)18-14-24(4)19-8-6-5-7-16(18)19/h5-10,13-14,21-22,25H,11-12H2,1-4H3/t21-,22+/m1/s1
InChIKeyBUULDGDTHRQPBJ-YADHBBJMSA-N
MW349.47 g/mol
LogP5.28
Rot. Bonds3

About 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol

2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol (PubChem CID 46850504) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol
PubChem CID46850504
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H](c2cn(C)c3ccccc23)[C@H]2CCC(C)(C)O2)c1
InChIInChI=1S/C23H27NO2/c1-15-9-10-20(25)17(13-15)22(21-11-12-23(2,3)26-21)18-14-24(4)19-8-6-5-7-16(18)19/h5-10,13-14,21-22,25H,11-12H2,1-4H3/t21-,22+/m1/s1
InChIKeyBUULDGDTHRQPBJ-YADHBBJMSA-N
XLogP5.28
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]phenol
CID 46848256
1-methyl-3-propan-2-ylindole
CID 10942942
2-[bis(1-methylindol-3-yl)methyl]-4-chlorophenol
CID 54754000
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
2,2-dimethyl-5-[(1-methylindol-3-yl)-phenylmethyl]-1,3-dioxane-4,6-dione
CID 102236382
1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
CID 116947044
2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
CID 114629009
cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol?
The IUPAC name of 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol (CID 46850504) is 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol?
The canonical SMILES for 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol is Cc1ccc(O)c([C@@H](c2cn(C)c3ccccc23)[C@H]2CCC(C)(C)O2)c1.
What is the InChIKey of 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol?
The InChIKey is BUULDGDTHRQPBJ-YADHBBJMSA-N. The full InChI is InChI=1S/C23H27NO2/c1-15-9-10-20(25)17(13-15)22(21-11-12-23(2,3)26-21)18-14-24(4)19-8-6-5-7-16(18)19/h5-10,13-14,21-22,25H,11-12H2,1-4H3/t21-,22+/m1/s1.
What are the key properties of 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol?
2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol has a molecular weight of 349.47 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol is sourced from PubChem (CID 46850504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).