prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate

C16H20O5 — CID 149406370

IUPACprop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate
SMILESC=CCOC(=O)C(O)Cc1ccc(OC)c(OCC=C)c1
InChIInChI=1S/C16H20O5/c1-4-8-20-15-11-12(6-7-14(15)19-3)10-13(17)16(18)21-9-5-2/h4-7,11,13,17H,1-2,8-10H2,3H3
InChIKeyYQJJLYYHZYEVDF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.89
Rot. Bonds9

About prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate

prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate (PubChem CID 149406370) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate
PubChem CID149406370
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Nameprop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate
SMILESC=CCOC(=O)C(O)Cc1ccc(OC)c(OCC=C)c1
InChIInChI=1S/C16H20O5/c1-4-8-20-15-11-12(6-7-14(15)19-3)10-13(17)16(18)21-9-5-2/h4-7,11,13,17H,1-2,8-10H2,3H3
InChIKeyYQJJLYYHZYEVDF-UHFFFAOYSA-N
XLogP1.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid
CID 10956821
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enamide
CID 125467212
prop-2-enyl 2-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxy-3-(3,4-dimethoxyphenyl)propanoate
CID 71654195
[3-(3,4-dimethoxyphenyl)-1-oxo-1-prop-2-enoxypropan-2-yl] (E)-4-(4-bromophenyl)but-2-enoate
CID 71698903
methyl 4-(3,4-dimethoxyphenyl)-3-(prop-2-enylamino)butanoate
CID 82351430
prop-2-enyl (2S)-3-[3,4-bis(prop-2-enoxy)phenyl]-2-[(E)-3-[3,4-bis(prop-2-enoxy)phenyl]prop-2-enoyl]oxypropanoate
CID 10973744
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate?
The IUPAC name of prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate (CID 149406370) is prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate.
What is the SMILES notation for prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate?
The canonical SMILES for prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate is C=CCOC(=O)C(O)Cc1ccc(OC)c(OCC=C)c1.
What is the InChIKey of prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate?
The InChIKey is YQJJLYYHZYEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-4-8-20-15-11-12(6-7-14(15)19-3)10-13(17)16(18)21-9-5-2/h4-7,11,13,17H,1-2,8-10H2,3H3.
What are the key properties of prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate?
prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate has a molecular weight of 292.33 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate is sourced from PubChem (CID 149406370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).