2-methoxy-4,6-dimethylbenzaldehyde

C10H12O2 — CID 13237473

IUPAC2-methoxy-4,6-dimethylbenzaldehyde
SMILESCOc1cc(C)cc(C)c1C=O
InChIInChI=1S/C10H12O2/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-6H,1-3H3
InChIKeyBWNVZMDZAKVBFZ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-4,6-dimethylbenzaldehyde

2-methoxy-4,6-dimethylbenzaldehyde (PubChem CID 13237473) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylbenzaldehyde
PubChem CID13237473
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methoxy-4,6-dimethylbenzaldehyde
SMILESCOc1cc(C)cc(C)c1C=O
InChIInChI=1S/C10H12O2/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-6H,1-3H3
InChIKeyBWNVZMDZAKVBFZ-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-4,6-dimethylbenzaldehyde?
The IUPAC name of 2-methoxy-4,6-dimethylbenzaldehyde (CID 13237473) is 2-methoxy-4,6-dimethylbenzaldehyde.
What is the SMILES notation for 2-methoxy-4,6-dimethylbenzaldehyde?
The canonical SMILES for 2-methoxy-4,6-dimethylbenzaldehyde is COc1cc(C)cc(C)c1C=O.
What is the InChIKey of 2-methoxy-4,6-dimethylbenzaldehyde?
The InChIKey is BWNVZMDZAKVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-4-8(2)9(6-11)10(5-7)12-3/h4-6H,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylbenzaldehyde?
2-methoxy-4,6-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-4,6-dimethylbenzaldehyde is sourced from PubChem (CID 13237473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).