2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione

C22H15NO5 — CID 146550400

IUPAC2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1O
InChIInChI=1S/C22H15NO5/c24-19-12-15(10-11-18(19)20(25)14-6-2-1-3-7-14)28-13-23-21(26)16-8-4-5-9-17(16)22(23)27/h1-12,24H,13H2
InChIKeyIMQIPIACRWQLPR-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.26
Rot. Bonds5

About 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione

2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione (PubChem CID 146550400) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione
PubChem CID146550400
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1O
InChIInChI=1S/C22H15NO5/c24-19-12-15(10-11-18(19)20(25)14-6-2-1-3-7-14)28-13-23-21(26)16-8-4-5-9-17(16)22(23)27/h1-12,24H,13H2
InChIKeyIMQIPIACRWQLPR-UHFFFAOYSA-N
XLogP3.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
1-[6-(4-benzoyl-3-hydroxyphenoxy)hexyl]pyrrole-2,5-dione
CID 67587668
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione (CID 146550400) is 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione is O=C(c1ccccc1)c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1O.
What is the InChIKey of 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione?
The InChIKey is IMQIPIACRWQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5/c24-19-12-15(10-11-18(19)20(25)14-6-2-1-3-7-14)28-13-23-21(26)16-8-4-5-9-17(16)22(23)27/h1-12,24H,13H2.
What are the key properties of 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione?
2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione has a molecular weight of 373.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione is sourced from PubChem (CID 146550400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).