9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione

C25H15ClO4 — CID 10645485

IUPAC9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccc(Cl)cc1
InChIInChI=1S/C25H15ClO4/c26-18-8-6-16(7-9-18)22-20-11-10-19(29-14-15-4-2-1-3-5-15)12-17(20)13-21-23(22)25(28)30-24(21)27/h1-13H,14H2
InChIKeyQATYXUKKPULPGP-UHFFFAOYSA-N
MW414.84 g/mol
LogP6.05
Rot. Bonds4

About 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione

9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione (PubChem CID 10645485) has the molecular formula C25H15ClO4 and a molecular weight of 414.84 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione.

Molecular Properties

Compound Name9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione
PubChem CID10645485
Molecular FormulaC25H15ClO4
Molecular Weight414.84 g/mol
Exact Mass414.07
IUPAC Name9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccc(Cl)cc1
InChIInChI=1S/C25H15ClO4/c26-18-8-6-16(7-9-18)22-20-11-10-19(29-14-15-4-2-1-3-5-15)12-17(20)13-21-23(22)25(28)30-24(21)27/h1-13H,14H2
InChIKeyQATYXUKKPULPGP-UHFFFAOYSA-N
XLogP6.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.84
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-phenylmethoxynaphthalene
CID 125116795
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
6-phenylmethoxychromen-2-one
CID 59816113
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
3-(4-chlorophenyl)-7-[(4-ethenylphenyl)methoxy]-2-methylchromen-4-one
CID 2007357
4-(4-chlorophenyl)-3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]naphthalene-2-carboxylic acid
CID 19103246
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
CID 11772503
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665456
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
1-phenyl-3-(phenylcarbamoyl)-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 67822005
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione?
The IUPAC name of 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione (CID 10645485) is 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione.
What is the SMILES notation for 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione?
The canonical SMILES for 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione is O=C1OC(=O)c2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccc(Cl)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione?
The InChIKey is QATYXUKKPULPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClO4/c26-18-8-6-16(7-9-18)22-20-11-10-19(29-14-15-4-2-1-3-5-15)12-17(20)13-21-23(22)25(28)30-24(21)27/h1-13H,14H2.
What are the key properties of 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione?
9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione has a molecular weight of 414.84 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-6-phenylmethoxybenzo[f][2]benzofuran-1,3-dione is sourced from PubChem (CID 10645485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).