ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate

C19H18O4 — CID 141232127

IUPACethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C19H18O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)12-13-17(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeySRBBHJAIKLELHN-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.52
Rot. Bonds7

About ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate

ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate (PubChem CID 141232127) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
PubChem CID141232127
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C19H18O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)12-13-17(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3
InChIKeySRBBHJAIKLELHN-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 169481272
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
ethyl 2-[2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]acetate
CID 139087208
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate (CID 141232127) is ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate is CCOC(=O)COc1ccccc1C=CC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate?
The InChIKey is SRBBHJAIKLELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-22-19(21)14-23-18-11-7-6-10-16(18)12-13-17(20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate?
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate has a molecular weight of 310.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate is sourced from PubChem (CID 141232127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).