2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate

C13H18O5 — CID 55563336

IUPAC2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCCO)c1OC
InChIInChI=1S/C13H18O5/c1-16-11-5-3-4-10(13(11)17-2)6-7-12(15)18-9-8-14/h3-5,14H,6-9H2,1-2H3
InChIKeyPYPBWAQTBAKQKE-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.17
Rot. Bonds7

About 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate

2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55563336) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55563336
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCCO)c1OC
InChIInChI=1S/C13H18O5/c1-16-11-5-3-4-10(13(11)17-2)6-7-12(15)18-9-8-14/h3-5,14H,6-9H2,1-2H3
InChIKeyPYPBWAQTBAKQKE-UHFFFAOYSA-N
XLogP1.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368657
[2-oxo-2-(pentylamino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404179
(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55445109
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate (CID 55563336) is 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCCO)c1OC.
What is the InChIKey of 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is PYPBWAQTBAKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-16-11-5-3-4-10(13(11)17-2)6-7-12(15)18-9-8-14/h3-5,14H,6-9H2,1-2H3.
What are the key properties of 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate?
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 254.28 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55563336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).