ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate

C19H20O4 — CID 14976661

IUPACethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)17(20)13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyKREHSKXRGYMFAJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.44
Rot. Bonds8

About ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate

ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate (PubChem CID 14976661) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
PubChem CID14976661
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)17(20)13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyKREHSKXRGYMFAJ-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
CID 88907825
CID 88907825
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
ethyl (E)-3-[2-(2-ethoxy-2-oxoethoxy)phenyl]but-2-enoate
CID 10447046
ethyl 2-[2-(2-iminoacetyl)phenoxy]acetate
CID 90857354
3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
CID 105128641
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353093
[2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-methyl-di(propan-2-yl)azanium
CID 10436866
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
1-[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]-3-phenylpropan-1-one
CID 40582746
1-[2-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylamino]propoxy]phenyl]-3-phenylpropan-1-one
CID 76956070
ethyl 3-phenylpropanoate;propanal
CID 90891703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate (CID 14976661) is ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate is CCOC(=O)COc1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate?
The InChIKey is KREHSKXRGYMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)17(20)13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate?
ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate has a molecular weight of 312.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate is sourced from PubChem (CID 14976661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).