ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate

C19H18O4 — CID 91423659

IUPACethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1coc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H18O4/c1-2-21-19(20)10-15-13-23-18-11-16(8-9-17(15)18)22-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyBMRXYAZJTZJTFZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate

ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate (PubChem CID 91423659) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
PubChem CID91423659
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)Cc1coc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H18O4/c1-2-21-19(20)10-15-13-23-18-11-16(8-9-17(15)18)22-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyBMRXYAZJTZJTFZ-UHFFFAOYSA-N
XLogP4.12
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
CID 58755262
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
CID 168752670
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate (CID 91423659) is ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate is CCOC(=O)Cc1coc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate?
The InChIKey is BMRXYAZJTZJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-21-19(20)10-15-13-23-18-11-16(8-9-17(15)18)22-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3.
What are the key properties of ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate?
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate has a molecular weight of 310.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 91423659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).