ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate

C15H20O4 — CID 117415045

IUPACethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C15H20O4/c1-2-19-15(17)14(16)13-5-3-11(4-6-13)12-7-9-18-10-8-12/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyHAYCOTYAFUCNBR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds4

About ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate

ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate (PubChem CID 117415045) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
PubChem CID117415045
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C15H20O4/c1-2-19-15(17)14(16)13-5-3-11(4-6-13)12-7-9-18-10-8-12/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyHAYCOTYAFUCNBR-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate 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

Cyclandelate
CID 2893
Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Methyl benzilate
CID 66159
(+-)-Methyl mandelate
CID 78066
2-(4'-(1-Hydroxy-2-methylpropyl)phenyl)propionic acid
CID 45117195
Isoamyl mandelate
CID 95396
(+)-O-Acetyl-L-mandelic Acid
CID 6923379
Fenpyroximate M-15
CID 18334393

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate (CID 117415045) is ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate is CCOC(=O)C(O)c1ccc(C2CCOCC2)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate?
The InChIKey is HAYCOTYAFUCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-19-15(17)14(16)13-5-3-11(4-6-13)12-7-9-18-10-8-12/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate?
ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate is sourced from PubChem (CID 117415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).