2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione

C16H13NO3 — CID 61207714

IUPAC2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(CO)c1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)12-4-2-3-11(8-12)9-18/h2-8,18H,9H2,1H3
InChIKeyZLGONUXVRCRSSB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.29
Rot. Bonds2

About 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione

2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione (PubChem CID 61207714) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
PubChem CID61207714
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(CO)c1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)12-4-2-3-11(8-12)9-18/h2-8,18H,9H2,1H3
InChIKeyZLGONUXVRCRSSB-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 64794337
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031839
5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
CID 137446567
2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
CID 90079550
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
2-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]isoindole-1,3-dione
CID 168517893
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 17361193

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione (CID 61207714) is 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1cccc(CO)c1)C2=O.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The InChIKey is ZLGONUXVRCRSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)12-4-2-3-11(8-12)9-18/h2-8,18H,9H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 61207714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).