4-(1H-indol-2-yl)-2-propoxyphenol

C17H17NO2 — CID 22756130

IUPAC4-(1H-indol-2-yl)-2-propoxyphenol
SMILESCCCOc1cc(-c2cc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C17H17NO2/c1-2-9-20-17-11-13(7-8-16(17)19)15-10-12-5-3-4-6-14(12)18-15/h3-8,10-11,18-19H,2,9H2,1H3
InChIKeyBQZSXGMKBATHFD-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.33
Rot. Bonds4

About 4-(1H-indol-2-yl)-2-propoxyphenol

4-(1H-indol-2-yl)-2-propoxyphenol (PubChem CID 22756130) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-propoxyphenol.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-propoxyphenol
PubChem CID22756130
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(1H-indol-2-yl)-2-propoxyphenol
SMILESCCCOc1cc(-c2cc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C17H17NO2/c1-2-9-20-17-11-13(7-8-16(17)19)15-10-12-5-3-4-6-14(12)18-15/h3-8,10-11,18-19H,2,9H2,1H3
InChIKeyBQZSXGMKBATHFD-UHFFFAOYSA-N
XLogP4.33
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-propoxyphenol?
The IUPAC name of 4-(1H-indol-2-yl)-2-propoxyphenol (CID 22756130) is 4-(1H-indol-2-yl)-2-propoxyphenol.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-propoxyphenol?
The canonical SMILES for 4-(1H-indol-2-yl)-2-propoxyphenol is CCCOc1cc(-c2cc3ccccc3[nH]2)ccc1O.
What is the InChIKey of 4-(1H-indol-2-yl)-2-propoxyphenol?
The InChIKey is BQZSXGMKBATHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-9-20-17-11-13(7-8-16(17)19)15-10-12-5-3-4-6-14(12)18-15/h3-8,10-11,18-19H,2,9H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-propoxyphenol?
4-(1H-indol-2-yl)-2-propoxyphenol has a molecular weight of 267.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-propoxyphenol is sourced from PubChem (CID 22756130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).