4-methoxy-2,3-dimethylbenzaldehyde

C10H12O2 — CID 596058

IUPAC4-methoxy-2,3-dimethylbenzaldehyde
SMILESCOc1ccc(C=O)c(C)c1C
InChIInChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
InChIKeyMAFDJCNDRCNZFM-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.12
Rot. Bonds2

About 4-methoxy-2,3-dimethylbenzaldehyde

4-methoxy-2,3-dimethylbenzaldehyde (PubChem CID 596058) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylbenzaldehyde
PubChem CID596058
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-methoxy-2,3-dimethylbenzaldehyde
SMILESCOc1ccc(C=O)c(C)c1C
InChIInChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
InChIKeyMAFDJCNDRCNZFM-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 4-methoxy-2,3-dimethylbenzaldehyde?
The IUPAC name of 4-methoxy-2,3-dimethylbenzaldehyde (CID 596058) is 4-methoxy-2,3-dimethylbenzaldehyde.
What is the SMILES notation for 4-methoxy-2,3-dimethylbenzaldehyde?
The canonical SMILES for 4-methoxy-2,3-dimethylbenzaldehyde is COc1ccc(C=O)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethylbenzaldehyde?
The InChIKey is MAFDJCNDRCNZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethylbenzaldehyde?
4-methoxy-2,3-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 4-methoxy-2,3-dimethylbenzaldehyde is sourced from PubChem (CID 596058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).