2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione

C16H13NO3 — CID 61018720

IUPAC2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1cccc(O)c1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3
InChIKeyZLRPUIKYEQTXIN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.50
Rot. Bonds2

About 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione

2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione (PubChem CID 61018720) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
PubChem CID61018720
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1cccc(O)c1)C2=O
InChIInChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3
InChIKeyZLRPUIKYEQTXIN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 60902619
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
1-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione
CID 63312082
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
CID 15843092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione (CID 61018720) is 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(Cc1cccc(O)c1)C2=O.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione?
The InChIKey is ZLRPUIKYEQTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-5-6-13-14(7-10)16(20)17(15(13)19)9-11-3-2-4-12(18)8-11/h2-8,18H,9H2,1H3.
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione?
2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 61018720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).