Benzalphthalide, (Z)-
Basic information
- CAS
4767-56-0- Standard SMILES
O=C1O/C(=C\c2ccccc2)c2ccccc21- InChIKey
YRTPZXMEBGTPLM-UVTDQMKNSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Overview
3-(phenylmethylene)-1-isobenzofuranone is an isobenzofuranone.
Names & identifiers
- Preferred name
- Benzalphthalide, (Z)-
- IUPAC
- (3Z)-3-benzylidene-2-benzofuran-1-one
Names & synonyms
4767-56-0Benzalphthalide, (Z)-(Z)-3-Benzylidenephthalide1(3H)-isobenzofuranone, 3-(phenylmethylene)-, (3Z)-R93GN14K61RefChem:1077934Benzalphthalide3-Benzalphthalide3-Benzylideneisobenzofuran-1(3H)-one(Z)-3-benzylideneisobenzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-(phenylmethylene)-(3Z)-3-benzylidene-2-benzofuran-1-one
Show more names
(3Z)-3-Benzylidene-2-benzofuran-1(3H)-oneMFCD00005929Phthalide, 3-benzylidene-CHEMBL67365(3Z)-3-(phenylmethylidene)-1,3-dihydro-2-benzofuran-1-one(3Z)-3-benzylideneisobenzofuran-1-one3-(phenylmethylidene)-1,3-dihydro-2-benzofuran-1-one3-(phenylmethylene)isobenzofuran-1-one
Database identifiers
- CAS
4767-56-0、575-61-1- PubChem CID
- 642371
- ChEMBL
CHEMBL67365- ChEBI
CHEBI:113035- UNII
- R93GN14K61
- Nikkaji
- J682.075A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
CosmeticsUv absorber
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Uv absorber
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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