2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate

C19H22O5 — CID 23325090

IUPAC2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCc1ccc(COCCOC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O5/c1-14-3-5-16(6-4-14)13-22-11-12-23-19(21)15(2)24-18-9-7-17(20)8-10-18/h3-10,15,20H,11-13H2,1-2H3
InChIKeyUWWAJHZXZXPRDV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.23
Rot. Bonds8

About 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate

2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate (PubChem CID 23325090) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
PubChem CID23325090
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
SMILESCc1ccc(COCCOC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O5/c1-14-3-5-16(6-4-14)13-22-11-12-23-19(21)15(2)24-18-9-7-17(20)8-10-18/h3-10,15,20H,11-13H2,1-2H3
InChIKeyUWWAJHZXZXPRDV-UHFFFAOYSA-N
XLogP3.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
2-[(2-bromophenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate
CID 23325108
(4-methylphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 7978180
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
CID 108539914
2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
CID 88738844
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
2,2,2-trifluoroethyl 2-(4-methylphenoxy)propanoate
CID 146526270
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
1,3-benzodioxol-5-ylmethyl 2-(4-methylphenoxy)propanoate
CID 78766133

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The IUPAC name of 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate (CID 23325090) is 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate is Cc1ccc(COCCOC(=O)C(C)Oc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
The InChIKey is UWWAJHZXZXPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-14-3-5-16(6-4-14)13-22-11-12-23-19(21)15(2)24-18-9-7-17(20)8-10-18/h3-10,15,20H,11-13H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate?
2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate has a molecular weight of 330.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]ethyl 2-(4-hydroxyphenoxy)propanoate is sourced from PubChem (CID 23325090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).