ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate

C21H26O5 — CID 71497129

IUPACethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Oc2cc(CCCO)ccc2OC)cc1
InChIInChI=1S/C21H26O5/c1-3-25-21(23)13-9-16-6-10-18(11-7-16)26-20-15-17(5-4-14-22)8-12-19(20)24-2/h6-8,10-12,15,22H,3-5,9,13-14H2,1-2H3
InChIKeyDTLLPEQFKJSSSW-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.91
Rot. Bonds10

About ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate

ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate (PubChem CID 71497129) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
PubChem CID71497129
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Nameethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Oc2cc(CCCO)ccc2OC)cc1
InChIInChI=1S/C21H26O5/c1-3-25-21(23)13-9-16-6-10-18(11-7-16)26-20-15-17(5-4-14-22)8-12-19(20)24-2/h6-8,10-12,15,22H,3-5,9,13-14H2,1-2H3
InChIKeyDTLLPEQFKJSSSW-UHFFFAOYSA-N
XLogP3.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
(5-butyl-2-methoxyphenyl) 3-phenylpropanoate
CID 69351156
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 4-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111213110
ethyl 3-[4-[2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)phenoxy]phenyl]propanoate
CID 72966722
ethyl 3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate
CID 163184187
ethyl 3-[4-(3-amino-2-hydroxy-4-methylpentoxy)-3-methoxyphenyl]propanoate
CID 70493477

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate (CID 71497129) is ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate is CCOC(=O)CCc1ccc(Oc2cc(CCCO)ccc2OC)cc1.
What is the InChIKey of ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate?
The InChIKey is DTLLPEQFKJSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-3-25-21(23)13-9-16-6-10-18(11-7-16)26-20-15-17(5-4-14-22)8-12-19(20)24-2/h6-8,10-12,15,22H,3-5,9,13-14H2,1-2H3.
What are the key properties of ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate?
ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate has a molecular weight of 358.43 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate is sourced from PubChem (CID 71497129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).