2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate

C17H16O4 — CID 135066132

IUPAC2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
SMILESCOc1ccc(C(=O)C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-20-15-9-7-14(8-10-15)16(18)17(19)21-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeySCGKXEXCYZOFBI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.66
Rot. Bonds6

About 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate

2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate (PubChem CID 135066132) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate.

Molecular Properties

Compound Name2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
PubChem CID135066132
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
SMILESCOc1ccc(C(=O)C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-20-15-9-7-14(8-10-15)16(18)17(19)21-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeySCGKXEXCYZOFBI-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.66
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

[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
CID 167437972
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551
2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethenylperoxy]ethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 72660232
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
CID 18387003
2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid
CID 10359201
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
2-phenylethyl acetate
CID 7654
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
2-phenylethyl 3,3-difluoro-2-methylprop-2-enoate
CID 11401868

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate?
The IUPAC name of 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate (CID 135066132) is 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate.
What is the SMILES notation for 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate?
The canonical SMILES for 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate is COc1ccc(C(=O)C(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate?
The InChIKey is SCGKXEXCYZOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-15-9-7-14(8-10-15)16(18)17(19)21-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate?
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate has a molecular weight of 284.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate is sourced from PubChem (CID 135066132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).