4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate

C11H17NO5 — CID 11241982

IUPAC4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate
SMILESCCOC(=O)O.NCC(O)c1ccc(O)cc1
InChIInChI=1S/C8H11NO2.C3H6O3/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-6-3(4)5/h1-4,8,10-11H,5,9H2;2H2,1H3,(H,4,5)
InChIKeyKTRVSOQLASFUPD-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.09
Rot. Bonds3

About 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate

4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate (PubChem CID 11241982) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate
PubChem CID11241982
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate
SMILESCCOC(=O)O.NCC(O)c1ccc(O)cc1
InChIInChI=1S/C8H11NO2.C3H6O3/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-6-3(4)5/h1-4,8,10-11H,5,9H2;2H2,1H3,(H,4,5)
InChIKeyKTRVSOQLASFUPD-UHFFFAOYSA-N
XLogP1.09
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate (CID 11241982) is 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate is CCOC(=O)O.NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate?
The InChIKey is KTRVSOQLASFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C3H6O3/c9-5-8(11)6-1-3-7(10)4-2-6;1-2-6-3(4)5/h1-4,8,10-11H,5,9H2;2H2,1H3,(H,4,5).
What are the key properties of 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate?
4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate has a molecular weight of 243.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate is sourced from PubChem (CID 11241982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).