2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione

C16H13NO3 — CID 64794337

IUPAC2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(CO)cc1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-2-7-13-14(8-10)16(20)17(15(13)19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3
InChIKeyPEIFTKDELKENIF-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.29
Rot. Bonds2

About 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione

2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione (PubChem CID 64794337) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
PubChem CID64794337
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(CO)cc1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-2-7-13-14(8-10)16(20)17(15(13)19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3
InChIKeyPEIFTKDELKENIF-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-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
CID 818224
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-methyl-5-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 90278436
(4-methylphenyl)methanol
CID 138734499
CID 144533118
CID 144533118
2-[4-[2,3-ditert-butyl-4-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769294
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione (CID 64794337) is 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1ccc(CO)cc1)C2=O.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
The InChIKey is PEIFTKDELKENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-2-7-13-14(8-10)16(20)17(15(13)19)12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione?
2-[4-(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-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 64794337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).