[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate

C19H23NO5 — CID 88755908

IUPAC[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate
SMILESCC(C)NCC(O)c1ccc(OC(=O)COc2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO5/c1-13(2)20-11-17(22)14-8-9-18(16(21)10-14)25-19(23)12-24-15-6-4-3-5-7-15/h3-10,13,17,20-22H,11-12H2,1-2H3
InChIKeyAKOOESCUZOTSHP-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.41
Rot. Bonds8

About [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate

[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate (PubChem CID 88755908) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate
PubChem CID88755908
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate
SMILESCC(C)NCC(O)c1ccc(OC(=O)COc2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO5/c1-13(2)20-11-17(22)14-8-9-18(16(21)10-14)25-19(23)12-24-15-6-4-3-5-7-15/h3-10,13,17,20-22H,11-12H2,1-2H3
InChIKeyAKOOESCUZOTSHP-UHFFFAOYSA-N
XLogP2.41
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 3-(dimethylamino)benzoate;hydrochloride
CID 70552828
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methyl 2-phenoxyacetate
CID 54120830
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] acetate;oxalic acid
CID 158179377
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
(2-bromo-4-methylphenyl) 2-phenoxyacetate
CID 19178939
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
[2-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl] 2-phenoxyacetate
CID 67709653
[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate;hydrochloride
CID 70514327
[4-(1,2-dihydroxyethyl)-2-hydroxyphenyl] acetate
CID 118508669

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate?
The IUPAC name of [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate (CID 88755908) is [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate.
What is the SMILES notation for [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate?
The canonical SMILES for [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate is CC(C)NCC(O)c1ccc(OC(=O)COc2ccccc2)c(O)c1.
What is the InChIKey of [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate?
The InChIKey is AKOOESCUZOTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13(2)20-11-17(22)14-8-9-18(16(21)10-14)25-19(23)12-24-15-6-4-3-5-7-15/h3-10,13,17,20-22H,11-12H2,1-2H3.
What are the key properties of [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate?
[2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate has a molecular weight of 345.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2-phenoxyacetate is sourced from PubChem (CID 88755908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).