ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate

C19H20O4 — CID 19903100

IUPACethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
SMILESCCOC(=O)C(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)18(20)13-10-15-8-11-17(12-9-15)23-14-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3
InChIKeySRRUZJAYSIZLDX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.33
Rot. Bonds8

About ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate

ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate (PubChem CID 19903100) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
PubChem CID19903100
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
SMILESCCOC(=O)C(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)18(20)13-10-15-8-11-17(12-9-15)23-14-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3
InChIKeySRRUZJAYSIZLDX-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
ethyl 2,3-dioxo-5-phenylpentanoate
CID 125467281
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate
CID 101439417
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
benzyl 5-(4-methoxyphenyl)-2-oxopentanoate
CID 18370787
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The IUPAC name of ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate (CID 19903100) is ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate.
What is the SMILES notation for ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The canonical SMILES for ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate is CCOC(=O)C(=O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate?
The InChIKey is SRRUZJAYSIZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-2-22-19(21)18(20)13-10-15-8-11-17(12-9-15)23-14-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3.
What are the key properties of ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate?
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate has a molecular weight of 312.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate is sourced from PubChem (CID 19903100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).