4-(1-hydroxycyclohexyl)isoindole-1,3-dione

C14H15NO3 — CID 166130522

IUPAC4-(1-hydroxycyclohexyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1(O)CCCCC1
InChIInChI=1S/C14H15NO3/c16-12-9-5-4-6-10(11(9)13(17)15-12)14(18)7-2-1-3-8-14/h4-6,18H,1-3,7-8H2,(H,15,16,17)
InChIKeyUHNPFMZULNRHNP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.72
Rot. Bonds1

About 4-(1-hydroxycyclohexyl)isoindole-1,3-dione

4-(1-hydroxycyclohexyl)isoindole-1,3-dione (PubChem CID 166130522) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1-hydroxycyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1-hydroxycyclohexyl)isoindole-1,3-dione
PubChem CID166130522
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(1-hydroxycyclohexyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2C1(O)CCCCC1
InChIInChI=1S/C14H15NO3/c16-12-9-5-4-6-10(11(9)13(17)15-12)14(18)7-2-1-3-8-14/h4-6,18H,1-3,7-8H2,(H,15,16,17)
InChIKeyUHNPFMZULNRHNP-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.72
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-[2-[1-(2-hydroxyethyl)cyclohexyl]ethyl]isoindole-1,3-dione
CID 141068081
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-(1,3-dioxoisoindol-4-yl)sulfanylisoindole-1,3-dione
CID 21403125
1-(2-phenylphenyl)cyclopentan-1-ol
CID 23151757
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
1-[2-(2-fluorophenyl)phenyl]cyclopentan-1-ol
CID 19036896
4-(cyclobuten-1-yl)isoindole-1,3-dione
CID 158098721
2-(1-hydroxycyclohexyl)-6-methylphenol
CID 117104328
4-cyclopropylisoindole-1,3-dione
CID 54298107
piperidine-2,6-dione;4-propan-2-ylisoindole-1,3-dione
CID 155707467
4-(methyldisulfanyl)isoindole-1,3-dione
CID 87696056
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The IUPAC name of 4-(1-hydroxycyclohexyl)isoindole-1,3-dione (CID 166130522) is 4-(1-hydroxycyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 4-(1-hydroxycyclohexyl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2C1(O)CCCCC1.
What is the InChIKey of 4-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The InChIKey is UHNPFMZULNRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-9-5-4-6-10(11(9)13(17)15-12)14(18)7-2-1-3-8-14/h4-6,18H,1-3,7-8H2,(H,15,16,17).
What are the key properties of 4-(1-hydroxycyclohexyl)isoindole-1,3-dione?
4-(1-hydroxycyclohexyl)isoindole-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 166130522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).