ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate

C14H21NO4 — CID 15446383

IUPACethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C14H21NO4/c1-4-15(5-2)10-7-8-11(12(16)9-10)13(17)14(18)19-6-3/h7-9,13,16-17H,4-6H2,1-3H3
InChIKeyVRDMLBZSJBJLQQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate

ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate (PubChem CID 15446383) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
PubChem CID15446383
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C14H21NO4/c1-4-15(5-2)10-7-8-11(12(16)9-10)13(17)14(18)19-6-3/h7-9,13,16-17H,4-6H2,1-3H3
InChIKeyVRDMLBZSJBJLQQ-UHFFFAOYSA-N
XLogP1.83
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide
CID 171869443
ethyl (3S)-3-amino-3-[4-(diethylamino)-2-hydroxyphenyl]-2,2-difluoropropanoate;hydrochloride
CID 171245470
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[[4-(diethylamino)-2-hydroxyphenyl]-hydroxymethyl]benzoic acid
CID 91224589
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate (CID 15446383) is ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(N(CC)CC)cc1O.
What is the InChIKey of ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate?
The InChIKey is VRDMLBZSJBJLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-15(5-2)10-7-8-11(12(16)9-10)13(17)14(18)19-6-3/h7-9,13,16-17H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate?
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate has a molecular weight of 267.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 15446383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).