2-(4-methylphenoxy)ethyl 2-phenylacetate

C17H18O3 — CID 55319310

IUPAC2-(4-methylphenoxy)ethyl 2-phenylacetate
SMILESCc1ccc(OCCOC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-14-7-9-16(10-8-14)19-11-12-20-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyPSVGXLVKFARVQG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-methylphenoxy)ethyl 2-phenylacetate

2-(4-methylphenoxy)ethyl 2-phenylacetate (PubChem CID 55319310) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-phenylacetate
PubChem CID55319310
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(4-methylphenoxy)ethyl 2-phenylacetate
SMILESCc1ccc(OCCOC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-14-7-9-16(10-8-14)19-11-12-20-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyPSVGXLVKFARVQG-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
ethyl 2-phenylacetate
CID 7590
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
ethyl 2-phenylacetate;hydrate
CID 141257001
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
4-[2-(4-methylphenyl)acetyl]oxybutanoic acid
CID 126736407
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
3-methylbutyl 2-phenylacetate
CID 7600
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-phenylacetate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-phenylacetate (CID 55319310) is 2-(4-methylphenoxy)ethyl 2-phenylacetate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-phenylacetate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-phenylacetate is Cc1ccc(OCCOC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-phenylacetate?
The InChIKey is PSVGXLVKFARVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-14-7-9-16(10-8-14)19-11-12-20-17(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-phenylacetate?
2-(4-methylphenoxy)ethyl 2-phenylacetate has a molecular weight of 270.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-phenylacetate is sourced from PubChem (CID 55319310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).