prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate

C21H24O5 — CID 70503283

IUPACprop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate
SMILESC=CCOC(=O)CC(O)C(C)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24O5/c1-3-13-24-21(23)14-18(22)16(2)26-20-12-8-7-11-19(20)25-15-17-9-5-4-6-10-17/h3-12,16,18,22H,1,13-15H2,2H3
InChIKeyXQUQHKHEQARVSC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.51
Rot. Bonds10

About prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate

prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate (PubChem CID 70503283) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate
PubChem CID70503283
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Nameprop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate
SMILESC=CCOC(=O)CC(O)C(C)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H24O5/c1-3-13-24-21(23)14-18(22)16(2)26-20-12-8-7-11-19(20)25-15-17-9-5-4-6-10-17/h3-12,16,18,22H,1,13-15H2,2H3
InChIKeyXQUQHKHEQARVSC-UHFFFAOYSA-N
XLogP3.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate 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

1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
benzyl 3-hydroxybutanoate
CID 562226
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
1-O-benzyl 4-O-[(2S)-4-[(2S)-4-[(2S)-1,4-dioxo-1-phenylmethoxy-4-prop-2-enoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl] (2S)-2-hydroxybutanedioate
CID 10748237
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269
prop-2-enyl 3-hydroxybutanoate
CID 14360290
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
benzyl (3R)-3-hydroxypent-4-enoate
CID 101049169
benzyl (3S)-3-hydroxypent-4-enoate
CID 141136678

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate?
The IUPAC name of prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate (CID 70503283) is prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate.
What is the SMILES notation for prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate?
The canonical SMILES for prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate is C=CCOC(=O)CC(O)C(C)Oc1ccccc1OCc1ccccc1.
What is the InChIKey of prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate?
The InChIKey is XQUQHKHEQARVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-3-13-24-21(23)14-18(22)16(2)26-20-12-8-7-11-19(20)25-15-17-9-5-4-6-10-17/h3-12,16,18,22H,1,13-15H2,2H3.
What are the key properties of prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate?
prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate has a molecular weight of 356.42 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxy-4-(2-phenylmethoxyphenoxy)pentanoate is sourced from PubChem (CID 70503283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).