2-methoxy-4,5-dimethylbenzaldehyde

C10H12O2 — CID 11819371

IUPAC2-methoxy-4,5-dimethylbenzaldehyde
SMILESCOc1cc(C)c(C)cc1C=O
InChIInChI=1S/C10H12O2/c1-7-4-9(6-11)10(12-3)5-8(7)2/h4-6H,1-3H3
InChIKeyBFVZDEJGUQFXCV-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-4,5-dimethylbenzaldehyde

2-methoxy-4,5-dimethylbenzaldehyde (PubChem CID 11819371) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-4,5-dimethylbenzaldehyde
PubChem CID11819371
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methoxy-4,5-dimethylbenzaldehyde
SMILESCOc1cc(C)c(C)cc1C=O
InChIInChI=1S/C10H12O2/c1-7-4-9(6-11)10(12-3)5-8(7)2/h4-6H,1-3H3
InChIKeyBFVZDEJGUQFXCV-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethylbenzaldehyde?
The IUPAC name of 2-methoxy-4,5-dimethylbenzaldehyde (CID 11819371) is 2-methoxy-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-methoxy-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2-methoxy-4,5-dimethylbenzaldehyde is COc1cc(C)c(C)cc1C=O.
What is the InChIKey of 2-methoxy-4,5-dimethylbenzaldehyde?
The InChIKey is BFVZDEJGUQFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-4-9(6-11)10(12-3)5-8(7)2/h4-6H,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethylbenzaldehyde?
2-methoxy-4,5-dimethylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 11819371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).