(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate

C18H24O7 — CID 91047100

IUPAC(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccccc1.C=CC(=O)OCCCO
InChIInChI=1S/C12H14O4.C6H10O3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11;1-2-6(8)9-5-3-4-7/h2-7,10,13H,1,8-9H2;2,7H,1,3-5H2
InChIKeyUVAYKHGGDAXKIK-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.25
Rot. Bonds10

About (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate

(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate (PubChem CID 91047100) has the molecular formula C18H24O7 and a molecular weight of 352.38 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
PubChem CID91047100
Molecular FormulaC18H24O7
Molecular Weight352.38 g/mol
Exact Mass352.15
IUPAC Name(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccccc1.C=CC(=O)OCCCO
InChIInChI=1S/C12H14O4.C6H10O3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11;1-2-6(8)9-5-3-4-7/h2-7,10,13H,1,8-9H2;2,7H,1,3-5H2
InChIKeyUVAYKHGGDAXKIK-UHFFFAOYSA-N
XLogP1.25
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl 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

4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate;3-[3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 165050415
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;2-(phenoxymethyl)oxirane;propane
CID 91150847
[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
CID 129405839
(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
CID 59476740

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate (CID 91047100) is (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate is C=CC(=O)OCC(O)COc1ccccc1.C=CC(=O)OCCCO.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The InChIKey is UVAYKHGGDAXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C6H10O3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11;1-2-6(8)9-5-3-4-7/h2-7,10,13H,1,8-9H2;2,7H,1,3-5H2.
What are the key properties of (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate?
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate has a molecular weight of 352.38 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 91047100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).