(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate

C15H14O4 — CID 118222401

IUPAC(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H14O4/c1-2-14(16)18-10-15(17)19-13-8-7-11-5-3-4-6-12(11)9-13/h2-9,15,17H,1,10H2
InChIKeyDQBHMCKWUOZZLN-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.27
Rot. Bonds5

About (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate

(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate (PubChem CID 118222401) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
PubChem CID118222401
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)Oc1ccc2ccccc2c1
InChIInChI=1S/C15H14O4/c1-2-14(16)18-10-15(17)19-13-8-7-11-5-3-4-6-12(11)9-13/h2-9,15,17H,1,10H2
InChIKeyDQBHMCKWUOZZLN-UHFFFAOYSA-N
XLogP2.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate 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-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
CID 159481428
CID 159481428
anthracen-2-ylmethyl prop-2-enoate
CID 163424587
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
[2,4,6-tris(naphthalen-2-ylsulfanyl)phenyl]methyl prop-2-enoate
CID 118070045
[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
CID 150733886
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol;prop-2-enoic acid
CID 67882500

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate (CID 118222401) is (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate is C=CC(=O)OCC(O)Oc1ccc2ccccc2c1.
What is the InChIKey of (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate?
The InChIKey is DQBHMCKWUOZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-2-14(16)18-10-15(17)19-13-8-7-11-5-3-4-6-12(11)9-13/h2-9,15,17H,1,10H2.
What are the key properties of (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate?
(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate has a molecular weight of 258.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate is sourced from PubChem (CID 118222401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).