ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate

C24H20O5 — CID 68682648

IUPACethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccc(O)cc12
InChIInChI=1S/C24H20O5/c1-2-27-24(26)22-20-14-18(25)10-13-21(20)29-23(22)17-8-11-19(12-9-17)28-15-16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3
InChIKeyLGKYTODMJXGUDU-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.56
Rot. Bonds6

About ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate

ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate (PubChem CID 68682648) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
PubChem CID68682648
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Nameethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccc(O)cc12
InChIInChI=1S/C24H20O5/c1-2-27-24(26)22-20-14-18(25)10-13-21(20)29-23(22)17-8-11-19(12-9-17)28-15-16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3
InChIKeyLGKYTODMJXGUDU-UHFFFAOYSA-N
XLogP5.56
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[3-[hydroxy(oxido)amino]phenyl]methoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 163177086
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
ethyl 5-[2-(3-methylphenoxy)ethoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 2432828
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
ethyl 2-phenyl-5-(2-sulfanylethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539662
ethyl 5-(cyclopropanecarbonyloxy)-2-phenyl-1-benzofuran-3-carboxylate
CID 7942364
ethyl 5-[2-(3,4-dimethylphenyl)-2-oxoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 2350714
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 4-(4-hydroxyphenyl)-1H-pyrrole-2-carboxylate;ethyl 4-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 159312898
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 702026

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate (CID 68682648) is ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is LGKYTODMJXGUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-2-27-24(26)22-20-14-18(25)10-13-21(20)29-23(22)17-8-11-19(12-9-17)28-15-16-6-4-3-5-7-16/h3-14,25H,2,15H2,1H3.
What are the key properties of ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate?
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 68682648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).