ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate

C21H16O4 — CID 869250

IUPACethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C21H16O4/c1-2-24-21(23)18-16-12-17(22)14-10-6-7-11-15(14)20(16)25-19(18)13-8-4-3-5-9-13/h3-12,22H,2H2,1H3
InChIKeyUSIRPNREJAXXAJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP5.14
Rot. Bonds3

About ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate

ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate (PubChem CID 869250) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
PubChem CID869250
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Nameethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C21H16O4/c1-2-24-21(23)18-16-12-17(22)14-10-6-7-11-15(14)20(16)25-19(18)13-8-4-3-5-9-13/h3-12,22H,2H2,1H3
InChIKeyUSIRPNREJAXXAJ-UHFFFAOYSA-N
XLogP5.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
ethyl 5-(2-bromobenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4997487
ethyl 5-(3-methoxybenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4677422
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 5-hydroxy-2-phenyl-7-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxylate
CID 2715995
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
CID 24774597
ethyl 4-chloro-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 23267424
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
CID 171977289
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate (CID 869250) is ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2c1cc(O)c1ccccc12.
What is the InChIKey of ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is USIRPNREJAXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-2-24-21(23)18-16-12-17(22)14-10-6-7-11-15(14)20(16)25-19(18)13-8-4-3-5-9-13/h3-12,22H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate?
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 869250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).