4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione

C16H13NO3 — CID 22111154

IUPAC4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESCC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20)
InChIKeyUXIUXGHOHGGSAZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.43
Rot. Bonds2

About 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione

4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 22111154) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID22111154
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESCC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20)
InChIKeyUXIUXGHOHGGSAZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-phenylhexyl)isoindole-1,3-dione
CID 67700217
piperidine-2,6-dione;4-propan-2-ylisoindole-1,3-dione
CID 155707467
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-(2-phenylpropyl)isoindole-1,3-dione
CID 142777474
4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol
CID 148624856
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
isoindole-1,3-dione;phenol
CID 157178846
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
4-methylsulfinylisoindole-1,3-dione
CID 174315291
4-(2-chloropropylsulfanyl)isoindole-1,3-dione
CID 54015095
4-(methyldisulfanyl)isoindole-1,3-dione
CID 87696056
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(3-hydroxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4127688

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 22111154) is 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione is CC(c1cccc(O)c1)c1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is UXIUXGHOHGGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9(10-4-2-5-11(18)8-10)12-6-3-7-13-14(12)16(20)17-15(13)19/h2-9,18H,1H3,(H,17,19,20).
What are the key properties of 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione?
4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22111154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).