Summary

IMPPAT Phytochemical identifier: IMPHY015831

Phytochemical name: Methyldiphenylphosphine

Synonymous chemical names:
methyl-diphenylphosphine

External chemical identifiers:
CID:73879, ZINC:ZINC000001606011, SureChEMBL:SCHEMBL40441, MolPort-003-928-464

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Chemical structure information

SMILES:
CP(c1ccccc1)c1ccccc1

InChI:
InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

InChIKey:
UJNZOIKQAUQOCN-UHFFFAOYSA-N

DeepSMILES:
CPcccccc6))))))cccccc6

Functional groups:
cP(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Pc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(PC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.106

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Chemical structure download