2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one

C21H15ClO3 — CID 11772503

IUPAC2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
SMILESO=C1c2ccc(OCc3ccccc3)cc2OC1c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-16-8-6-15(7-9-16)21-20(23)18-11-10-17(12-19(18)25-21)24-13-14-4-2-1-3-5-14/h1-12,21H,13H2
InChIKeyZRSKZVRILPLFIW-UHFFFAOYSA-N
MW350.80 g/mol
LogP5.24
Rot. Bonds4

About 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one

2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one (PubChem CID 11772503) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
PubChem CID11772503
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Name2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
SMILESO=C1c2ccc(OCc3ccccc3)cc2OC1c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-16-8-6-15(7-9-16)21-20(23)18-11-10-17(12-19(18)25-21)24-13-14-4-2-1-3-5-14/h1-12,21H,13H2
InChIKeyZRSKZVRILPLFIW-UHFFFAOYSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.80
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione
CID 10645485
4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
CID 4285693
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271858
7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene
CID 118886898
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one (CID 11772503) is 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one is O=C1c2ccc(OCc3ccccc3)cc2OC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one?
The InChIKey is ZRSKZVRILPLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-16-8-6-15(7-9-16)21-20(23)18-11-10-17(12-19(18)25-21)24-13-14-4-2-1-3-5-14/h1-12,21H,13H2.
What are the key properties of 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one?
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one has a molecular weight of 350.80 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one is sourced from PubChem (CID 11772503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).