6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one

C16H12ClNO4 — CID 42648376

IUPAC6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one
SMILESO=C1NC(O)(c2ccccc2Cl)c2cc3c(cc21)OCCO3
InChIInChI=1S/C16H12ClNO4/c17-12-4-2-1-3-10(12)16(20)11-8-14-13(21-5-6-22-14)7-9(11)15(19)18-16/h1-4,7-8,20H,5-6H2,(H,18,19)
InChIKeyHKCFTVFYBGGEHZ-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.05
Rot. Bonds1

About 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one

6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one (PubChem CID 42648376) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one
PubChem CID42648376
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one
SMILESO=C1NC(O)(c2ccccc2Cl)c2cc3c(cc21)OCCO3
InChIInChI=1S/C16H12ClNO4/c17-12-4-2-1-3-10(12)16(20)11-8-14-13(21-5-6-22-14)7-9(11)15(19)18-16/h1-4,7-8,20H,5-6H2,(H,18,19)
InChIKeyHKCFTVFYBGGEHZ-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one?
The IUPAC name of 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one (CID 42648376) is 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one.
What is the SMILES notation for 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one?
The canonical SMILES for 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one is O=C1NC(O)(c2ccccc2Cl)c2cc3c(cc21)OCCO3.
What is the InChIKey of 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one?
The InChIKey is HKCFTVFYBGGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c17-12-4-2-1-3-10(12)16(20)11-8-14-13(21-5-6-22-14)7-9(11)15(19)18-16/h1-4,7-8,20H,5-6H2,(H,18,19).
What are the key properties of 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one?
6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one has a molecular weight of 317.73 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-6-hydroxy-3,7-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-8-one is sourced from PubChem (CID 42648376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).