Summary

IMPPAT Phytochemical identifier: IMPHY008570

Phytochemical name: Phenol, 2,2'-(2-methylpropylidene)bis(4,6-dimethyl-

Synonymous chemical names:
metaseol

External chemical identifiers:
CID:94446, ZINC:ZINC000006069686, SureChEMBL:SCHEMBL223172

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Chemical structure information

SMILES:
Cc1cc(C)c(c(c1)C(c1cc(C)cc(c1O)C)C(C)C)O

InChI:
InChI=1S/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3

InChIKey:
SZAQZZKNQILGPU-UHFFFAOYSA-N

DeepSMILES:
CcccC)ccc6)CcccC)ccc6O))C))))))CC)C))))O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)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

ClassyFire Subclass: Diphenylmethanes

NP-Likeness score: 0.094

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Chemical structure download