ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate

C15H22O5 — CID 66907182

IUPACethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)c(OCCCOC)c1
InChIInChI=1S/C15H22O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5,7,11,16H,3-4,6,8-10H2,1-2H3
InChIKeyDXQJMMSLNALVPB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.30
Rot. Bonds9

About ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate

ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate (PubChem CID 66907182) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
PubChem CID66907182
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)c(OCCCOC)c1
InChIInChI=1S/C15H22O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5,7,11,16H,3-4,6,8-10H2,1-2H3
InChIKeyDXQJMMSLNALVPB-UHFFFAOYSA-N
XLogP2.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
ethyl 3-[4-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-(3-methoxypropoxy)phenyl]propanoate
CID 66906685
ethyl 3-[3-[5-(3-ethoxy-3-oxopropyl)-2-(2-phenylethoxy)phenyl]-4-hydroxyphenyl]propanoate
CID 54494759
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
4-bromobutyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 174513946
3-(4-hydroxy-3-methoxyphenyl)propanoic acid;propyl 3-(3-methoxy-4-propoxyphenyl)propanoate
CID 161403308
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 57393829

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate (CID 66907182) is ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate is CCOC(=O)CCc1ccc(O)c(OCCCOC)c1.
What is the InChIKey of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate?
The InChIKey is DXQJMMSLNALVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5,7,11,16H,3-4,6,8-10H2,1-2H3.
What are the key properties of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate?
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate has a molecular weight of 282.34 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate is sourced from PubChem (CID 66907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).