3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one

C23H20O3 — CID 11267934

IUPAC3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
SMILESCc1ccc2c(c1)C(C)(c1ccccc1OCc1ccccc1)C(=O)O2
InChIInChI=1S/C23H20O3/c1-16-12-13-21-19(14-16)23(2,22(24)26-21)18-10-6-7-11-20(18)25-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyNXKFUTTZSJICEH-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.80
Rot. Bonds4

About 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one

3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one (PubChem CID 11267934) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one.

Molecular Properties

Compound Name3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
PubChem CID11267934
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one
SMILESCc1ccc2c(c1)C(C)(c1ccccc1OCc1ccccc1)C(=O)O2
InChIInChI=1S/C23H20O3/c1-16-12-13-21-19(14-16)23(2,22(24)26-21)18-10-6-7-11-20(18)25-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyNXKFUTTZSJICEH-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[5-methyl-2-oxo-3-(2-phenylmethoxyphenyl)-1-benzofuran-3-yl]acetate
CID 11487603
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
(3S)-3-benzyl-5-methyl-3-phenyl-1-benzofuran-2-one
CID 162398249
(4S)-4,6-dimethyl-4-(3-phenylmethoxypropyl)-3H-chromen-2-one
CID 11846077
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
4,4,5,5-tetramethyl-2-(4-methyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 138987086
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823547
CID 101083628
CID 101083628
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one?
The IUPAC name of 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one (CID 11267934) is 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one.
What is the SMILES notation for 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one?
The canonical SMILES for 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one is Cc1ccc2c(c1)C(C)(c1ccccc1OCc1ccccc1)C(=O)O2.
What is the InChIKey of 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one?
The InChIKey is NXKFUTTZSJICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-16-12-13-21-19(14-16)23(2,22(24)26-21)18-10-6-7-11-20(18)25-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3.
What are the key properties of 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one?
3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-(2-phenylmethoxyphenyl)-1-benzofuran-2-one is sourced from PubChem (CID 11267934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).