Summary

IMPPAT Phytochemical identifier: IMPHY016406

Phytochemical name: 3,5-Dimethylbenzaldehyde

Synonymous chemical names:
3,5-dimethylbenzaldehyde

External chemical identifiers:
CID:34225, ZINC:ZINC000004255603, SureChEMBL:SCHEMBL280640, MolPort-000-154-759

---

Chemical structure information

SMILES:
O=Cc1cc(C)cc(c1)C

InChI:
InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3

InChIKey:
NBEFMISJJNGCIZ-UHFFFAOYSA-N

DeepSMILES:
O=CcccC)ccc6)C

Functional groups:
cC=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: -0.044

---

Chemical structure download