2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate

C17H18O5 — CID 134231770

IUPAC2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCCOc2ccccc2)ccc1O
InChIInChI=1S/C17H18O5/c1-20-16-11-13(7-8-15(16)18)12-17(19)22-10-9-21-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyJRNKIWUFOHOCTF-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.57
Rot. Bonds7

About 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate

2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate (PubChem CID 134231770) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
PubChem CID134231770
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCCOc2ccccc2)ccc1O
InChIInChI=1S/C17H18O5/c1-20-16-11-13(7-8-15(16)18)12-17(19)22-10-9-21-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyJRNKIWUFOHOCTF-UHFFFAOYSA-N
XLogP2.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.57
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

methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 55314701
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 167362080
2-phenylethyl 2-(3,4-dihydroxyphenyl)acetate
CID 138558195
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55638373
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
[(3S)-3,7-dimethyloct-6-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231777
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
2-(4-methylphenoxy)ethyl 2-phenylacetate
CID 55319310
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
CID 11989799
(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
CID 88959300

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The IUPAC name of 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate (CID 134231770) is 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate.
What is the SMILES notation for 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The canonical SMILES for 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate is COc1cc(CC(=O)OCCOc2ccccc2)ccc1O.
What is the InChIKey of 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
The InChIKey is JRNKIWUFOHOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-16-11-13(7-8-15(16)18)12-17(19)22-10-9-21-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate?
2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate has a molecular weight of 302.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 134231770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).