2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol

C13H15NO2 — CID 69120843

IUPAC2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol
SMILESCCOc1ccc(Cc2ccc[nH]2)cc1O
InChIInChI=1S/C13H15NO2/c1-2-16-13-6-5-10(9-12(13)15)8-11-4-3-7-14-11/h3-7,9,14-15H,2,8H2,1H3
InChIKeyHNVYFTNZSICHDV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.71
Rot. Bonds4

About 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol

2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol (PubChem CID 69120843) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol
PubChem CID69120843
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol
SMILESCCOc1ccc(Cc2ccc[nH]2)cc1O
InChIInChI=1S/C13H15NO2/c1-2-16-13-6-5-10(9-12(13)15)8-11-4-3-7-14-11/h3-7,9,14-15H,2,8H2,1H3
InChIKeyHNVYFTNZSICHDV-UHFFFAOYSA-N
XLogP2.71
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol?
The IUPAC name of 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol (CID 69120843) is 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol.
What is the SMILES notation for 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol?
The canonical SMILES for 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol is CCOc1ccc(Cc2ccc[nH]2)cc1O.
What is the InChIKey of 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol?
The InChIKey is HNVYFTNZSICHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-16-13-6-5-10(9-12(13)15)8-11-4-3-7-14-11/h3-7,9,14-15H,2,8H2,1H3.
What are the key properties of 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol?
2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol has a molecular weight of 217.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(1H-pyrrol-2-ylmethyl)phenol is sourced from PubChem (CID 69120843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).