3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol

C19H21NO2 — CID 117186036

IUPAC3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
SMILESCc1ccc2cc(COc3cccc(O)c3)n(C(C)C)c2c1
InChIInChI=1S/C19H21NO2/c1-13(2)20-16(10-15-8-7-14(3)9-19(15)20)12-22-18-6-4-5-17(21)11-18/h4-11,13,21H,12H2,1-3H3
InChIKeyWXEHMLCFJVEYMS-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.82
Rot. Bonds4

About 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol

3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol (PubChem CID 117186036) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
PubChem CID117186036
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
SMILESCc1ccc2cc(COc3cccc(O)c3)n(C(C)C)c2c1
InChIInChI=1S/C19H21NO2/c1-13(2)20-16(10-15-8-7-14(3)9-19(15)20)12-22-18-6-4-5-17(21)11-18/h4-11,13,21H,12H2,1-3H3
InChIKeyWXEHMLCFJVEYMS-UHFFFAOYSA-N
XLogP4.82
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
2-(ethoxymethyl)-6-methyl-1-propan-2-ylindole
CID 117186061
(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117122698
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193242
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol?
The IUPAC name of 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol (CID 117186036) is 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol?
The canonical SMILES for 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol is Cc1ccc2cc(COc3cccc(O)c3)n(C(C)C)c2c1.
What is the InChIKey of 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol?
The InChIKey is WXEHMLCFJVEYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)20-16(10-15-8-7-14(3)9-19(15)20)12-22-18-6-4-5-17(21)11-18/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol?
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol has a molecular weight of 295.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117186036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).