3-methoxy-2-methylbenzaldehyde

C9H10O2 — CID 13162663

IUPAC3-methoxy-2-methylbenzaldehyde
SMILESCOc1cccc(C=O)c1C
InChIInChI=1S/C9H10O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-6H,1-2H3
InChIKeyVUVSSLDCCMJFTM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.82
Rot. Bonds2

About 3-methoxy-2-methylbenzaldehyde

3-methoxy-2-methylbenzaldehyde (PubChem CID 13162663) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-methylbenzaldehyde
PubChem CID13162663
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-methoxy-2-methylbenzaldehyde
SMILESCOc1cccc(C=O)c1C
InChIInChI=1S/C9H10O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-6H,1-2H3
InChIKeyVUVSSLDCCMJFTM-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 3-methoxy-2-methylbenzaldehyde?
The IUPAC name of 3-methoxy-2-methylbenzaldehyde (CID 13162663) is 3-methoxy-2-methylbenzaldehyde.
What is the SMILES notation for 3-methoxy-2-methylbenzaldehyde?
The canonical SMILES for 3-methoxy-2-methylbenzaldehyde is COc1cccc(C=O)c1C.
What is the InChIKey of 3-methoxy-2-methylbenzaldehyde?
The InChIKey is VUVSSLDCCMJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-6H,1-2H3.
What are the key properties of 3-methoxy-2-methylbenzaldehyde?
3-methoxy-2-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 3-methoxy-2-methylbenzaldehyde is sourced from PubChem (CID 13162663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).