2,3-Dihydro-2-phenyl-1H-isoindol-1-one

HCID 97035CAS 5388-42-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2ccccc2CN1c1ccccc1
InChIKey
FIWLYGQHSKZFAQ-UHFFFAOYSA-N
Molecular formula
C14H11NO
Average molar mass
209.24 g/mol
Monoisotopic mass
209.08406397

Names & identifiers

Preferred name
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
IUPAC
2-phenyl-3H-isoindol-1-one
English name
2,3-Dihydro-2-phenyl-1H-isoindol-1-oxo-isoindoline
Molecular formula
C14H11NO
Molecular weight
209.24

Names & synonyms

5388-42-1N-PhenylphthalimidinePhthalimidine, 2-phenyl-1H-Isoindol-1-one, 2,3-dihydro-2-phenyl-U8M4WOJ0XSDTXSID10202134NSC-975772,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-ONERefChem:1059368DTXCID101246252-phenylisoindolin-1-one2-Phenyl-2,3-dihydro-isoindol-1-one
Show more names
PHTHALIMIDE,2-PHENYL-2-phenyl-phthalimidinN-Phenyl-1-isoindolinone2-Phenyl-1-oxoisoindoline2-Phenyl-2H-isoindol-1(3H)-one
2-phenyl-3H-isoindol-1-one2-Phenyl-1-isoindolinone2-phenyl-2,3-dihydro-1H-isoindol-1-oneMFCD000230202,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE2-Phenyl-1-isoindolinone #HMS1677E05HMS2813G18

Database identifiers

CAS
5388-42-1
PubChem CID
97035
DTXSID
DTXSID10202134
ChEMBL
CHEMBL1568952
UNII
U8M4WOJ0XS
Nikkaji
J50.527G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

Solubility12.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
162.5 °C · 162.5°C
Boiling point
348.61 °C · 348.61°C (rough estimate)
Density
1.0966 · 1.0966 (rough estimate)
refractive index
1.578 · 1.5780 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
solid

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P302+P352

Chemistry & industry

Applications

UsesUsed as Intermediates of indoprofen.

Upstream & downstream products

Suppliers35 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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