2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C18H16O5 — CID 7414644

IUPAC2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCCOc1ccccc1
InChIInChI=1S/C18H16O5/c19-14-6-7-16-13(12-23-17(16)11-14)10-18(20)22-9-8-21-15-4-2-1-3-5-15/h1-7,11-12,19H,8-10H2
InChIKeyUHNBDNVNIKIKPC-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.30
Rot. Bonds6

About 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7414644) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7414644
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCCOc1ccccc1
InChIInChI=1S/C18H16O5/c19-14-6-7-16-13(12-23-17(16)11-14)10-18(20)22-9-8-21-15-4-2-1-3-5-15/h1-7,11-12,19H,8-10H2
InChIKeyUHNBDNVNIKIKPC-UHFFFAOYSA-N
XLogP3.30
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.30
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

(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887363
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414762
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807088
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7250978
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531
2-(6-hydroxy-1-benzofuran-3-yl)acetohydrazide
CID 165437933

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7414644) is 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is UHNBDNVNIKIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c19-14-6-7-16-13(12-23-17(16)11-14)10-18(20)22-9-8-21-15-4-2-1-3-5-15/h1-7,11-12,19H,8-10H2.
What are the key properties of 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 312.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7414644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).