4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one

C14H10FNO2 — CID 164610519

IUPAC4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1cc(O)cc(F)c1
InChIInChI=1S/C14H10FNO2/c15-9-4-8(5-10(17)6-9)11-2-1-3-12-13(11)7-16-14(12)18/h1-6,17H,7H2,(H,16,18)
InChIKeyGONALQHDEVLMEU-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.44
Rot. Bonds1

About 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one

4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one (PubChem CID 164610519) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
PubChem CID164610519
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1cc(O)cc(F)c1
InChIInChI=1S/C14H10FNO2/c15-9-4-8(5-10(17)6-9)11-2-1-3-12-13(11)7-16-14(12)18/h1-6,17H,7H2,(H,16,18)
InChIKeyGONALQHDEVLMEU-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one (CID 164610519) is 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1cc(O)cc(F)c1.
What is the InChIKey of 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is GONALQHDEVLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-9-4-8(5-10(17)6-9)11-2-1-3-12-13(11)7-16-14(12)18/h1-6,17H,7H2,(H,16,18).
What are the key properties of 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one?
4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 243.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164610519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).