2-methoxy-3-methylbenzaldehyde

C9H10O2 — CID 6484418

IUPAC2-methoxy-3-methylbenzaldehyde
SMILESCOc1c(C)cccc1C=O
InChIInChI=1S/C9H10O2/c1-7-4-3-5-8(6-10)9(7)11-2/h3-6H,1-2H3
InChIKeyVNSQYSFEIBZPHF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.82
Rot. Bonds2

About 2-methoxy-3-methylbenzaldehyde

2-methoxy-3-methylbenzaldehyde (PubChem CID 6484418) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methoxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-3-methylbenzaldehyde
PubChem CID6484418
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methoxy-3-methylbenzaldehyde
SMILESCOc1c(C)cccc1C=O
InChIInChI=1S/C9H10O2/c1-7-4-3-5-8(6-10)9(7)11-2/h3-6H,1-2H3
InChIKeyVNSQYSFEIBZPHF-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.82
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-3-methylbenzaldehyde?
The IUPAC name of 2-methoxy-3-methylbenzaldehyde (CID 6484418) is 2-methoxy-3-methylbenzaldehyde.
What is the SMILES notation for 2-methoxy-3-methylbenzaldehyde?
The canonical SMILES for 2-methoxy-3-methylbenzaldehyde is COc1c(C)cccc1C=O.
What is the InChIKey of 2-methoxy-3-methylbenzaldehyde?
The InChIKey is VNSQYSFEIBZPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-4-3-5-8(6-10)9(7)11-2/h3-6H,1-2H3.
What are the key properties of 2-methoxy-3-methylbenzaldehyde?
2-methoxy-3-methylbenzaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylbenzaldehyde is sourced from PubChem (CID 6484418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).