2,2-Dimethyl-4-(naphthalen-1-yl)-7-[(oxiran-2-yl)methoxy]-2H-1-benzopyran

HCID 23330742

Notes Reactions

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Basic information

CAS: 62071-66-3
Standard SMILES: CC1(C)C=C(c2cccc3ccccc23)c2ccc(OCC3CO3)cc2O1
InChIKey: DKLZLQNMYOSMGM-UHFFFAOYSA-N
Molecular formula: C24H22O3
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.15689456

Names & identifiers

Preferred name: 2,2-Dimethyl-4-(naphthalen-1-yl)-7-[(oxiran-2-yl)methoxy]-2H-1-benzopyran
IUPAC: 2,2-dimethyl-4-naphthalen-1-yl-7-(oxiran-2-ylmethoxy)chromene

Names & synonyms

62071-66-3SCHEMBL11479490DTXSID40632980DKLZLQNMYOSMGM-UHFFFAOYSA-N2,2-Dimethyl-4-(naphthalen-1-yl)-7-[(oxiran-2-yl)methoxy]-2H-1-benzopyran7-(2,3-epoxypropoxy)-2,2-dimethyl-4-(1-naphthyl)-2H chromene7-(2,3-Epoxypropoxy)-2,2-dimethyl-4-(1-naphthyl)-2H-chromene

Database identifiers

CAS: 62071-66-3
PubChem CID: 23330742
DTXSID: DTXSID40632980

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 31 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 568

Related reactions

9 records

New reaction record

HRID 224933As productuspto-grants-1980_11

HRID 224934As reactantuspto-grants-1980_11

HRID 834170As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 838908As productuspto-grants-1978_06

HRID 838909As reactantuspto-grants-1978_06

HRID 838910As reactantuspto-grants-1978_06

HRID 2163363As productuspto-grants-1979_01

HRID 2163364As reactantuspto-grants-1979_01

Compound notes

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