Summary

IMPPAT Phytochemical identifier: IMPHY017550

Phytochemical name: 4-Methyl-2-phenyl-1,3-dioxolane

Synonymous chemical names:
1,3-dioxolane,4-methyl-2-phenyl-

External chemical identifiers:
CID:595928, FDASRS:ELQ3FTL5B1, SureChEMBL:SCHEMBL531471, MolPort-002-538-250

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Chemical structure information

SMILES:
CC1COC(O1)c1ccccc1

InChI:
InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey:
CDIKGISJRLTLRA-UHFFFAOYSA-N

DeepSMILES:
CCCOCO5)cccccc6

Functional groups:
cC1OCCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2OCCO2)cc1

Scaffold Graph/Node level:
C1CCC(C2OCCO2)CC1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.383

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Chemical structure download