(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C23H18O4 — CID 7415600

IUPAC(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18O4/c24-20-10-11-21-19(15-26-22(21)13-20)12-23(25)27-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,13,15,24H,12,14H2
InChIKeyJHPBGVXEVNMTGY-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.09
Rot. Bonds5

About (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7415600) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7415600
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18O4/c24-20-10-11-21-19(15-26-22(21)13-20)12-23(25)27-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,13,15,24H,12,14H2
InChIKeyJHPBGVXEVNMTGY-UHFFFAOYSA-N
XLogP5.09
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 4856471
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
imidazo[1,2-a]pyridin-2-ylmethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7250978
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807020
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415393
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414762
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7415600) is (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is JHPBGVXEVNMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c24-20-10-11-21-19(15-26-22(21)13-20)12-23(25)27-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,13,15,24H,12,14H2.
What are the key properties of (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 358.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7415600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).