2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol

C19H21NO2 — CID 117185196

IUPAC2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCc1ccc2c(c1)c(COc1ccccc1O)cn2C(C)C
InChIInChI=1S/C19H21NO2/c1-13(2)20-11-15(16-10-14(3)8-9-17(16)20)12-22-19-7-5-4-6-18(19)21/h4-11,13,21H,12H2,1-3H3
InChIKeyXMRUJVWQXCYMFB-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.82
Rot. Bonds4

About 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol

2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol (PubChem CID 117185196) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
PubChem CID117185196
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCc1ccc2c(c1)c(COc1ccccc1O)cn2C(C)C
InChIInChI=1S/C19H21NO2/c1-13(2)20-11-15(16-10-14(3)8-9-17(16)20)12-22-19-7-5-4-6-18(19)21/h4-11,13,21H,12H2,1-3H3
InChIKeyXMRUJVWQXCYMFB-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol (CID 117185196) is 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol is Cc1ccc2c(c1)c(COc1ccccc1O)cn2C(C)C.
What is the InChIKey of 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol?
The InChIKey is XMRUJVWQXCYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)20-11-15(16-10-14(3)8-9-17(16)20)12-22-19-7-5-4-6-18(19)21/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol?
2-[(5-methyl-1-propan-2-ylindol-3-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 2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117185196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).