2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate

C20H24O4 — CID 44635825

IUPAC2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
SMILESCCOCCOC(=O)C(C)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O4/c1-4-22-13-14-23-20(21)16(3)24-19-11-9-18(10-12-19)17-7-5-15(2)6-8-17/h5-12,16H,4,13-14H2,1-3H3
InChIKeyPWKYPJDPMRLTAV-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.01
Rot. Bonds8

About 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate

2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate (PubChem CID 44635825) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
PubChem CID44635825
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
SMILESCCOCCOC(=O)C(C)Oc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24O4/c1-4-22-13-14-23-20(21)16(3)24-19-11-9-18(10-12-19)17-7-5-15(2)6-8-17/h5-12,16H,4,13-14H2,1-3H3
InChIKeyPWKYPJDPMRLTAV-UHFFFAOYSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325090
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
2-ethoxyethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 7716442
2,2,2-trifluoroethyl 2-(4-methylphenoxy)propanoate
CID 146526270
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
2-methylpropyl (2S)-2-[4-[2-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]phenoxy]propanoate
CID 144549586

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate?
The IUPAC name of 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate (CID 44635825) is 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate.
What is the SMILES notation for 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate?
The canonical SMILES for 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate is CCOCCOC(=O)C(C)Oc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate?
The InChIKey is PWKYPJDPMRLTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-22-13-14-23-20(21)16(3)24-19-11-9-18(10-12-19)17-7-5-15(2)6-8-17/h5-12,16H,4,13-14H2,1-3H3.
What are the key properties of 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate?
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate has a molecular weight of 328.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate is sourced from PubChem (CID 44635825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).