ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate

C17H18O4 — CID 174425410

IUPACethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-17(19)10-11-21-16-5-3-4-14(12-16)13-6-8-15(18)9-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyOQHPJZJGXJLXEQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.39
Rot. Bonds6

About ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate

ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate (PubChem CID 174425410) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
PubChem CID174425410
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H18O4/c1-2-20-17(19)10-11-21-16-5-3-4-14(12-16)13-6-8-15(18)9-7-13/h3-9,12,18H,2,10-11H2,1H3
InChIKeyOQHPJZJGXJLXEQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
4-(3-octadecoxyphenyl)phenol
CID 91091323
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 5-[3-(3-ethoxy-3-oxopropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400957
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
ethyl 3-[3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenoxy]propanoate
CID 169394983
2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl 4-(3-pentoxyphenyl)benzoate
CID 134446759
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
ethyl 6-[3-hydroxy-4-(4-phenylbenzenecarbothioyl)phenoxy]hexanoate
CID 135979317

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate (CID 174425410) is ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate is CCOC(=O)CCOc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate?
The InChIKey is OQHPJZJGXJLXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-17(19)10-11-21-16-5-3-4-14(12-16)13-6-8-15(18)9-7-13/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate?
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate has a molecular weight of 286.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate is sourced from PubChem (CID 174425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).