2-(3-methoxy-2-methylphenyl)acetaldehyde

C10H12O2 — CID 144630578

IUPAC2-(3-methoxy-2-methylphenyl)acetaldehyde
SMILESCOc1cccc(CC=O)c1C
InChIInChI=1S/C10H12O2/c1-8-9(6-7-11)4-3-5-10(8)12-2/h3-5,7H,6H2,1-2H3
InChIKeyWBVGPOAOIBVIHD-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-methoxy-2-methylphenyl)acetaldehyde

2-(3-methoxy-2-methylphenyl)acetaldehyde (PubChem CID 144630578) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-2-methylphenyl)acetaldehyde
PubChem CID144630578
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(3-methoxy-2-methylphenyl)acetaldehyde
SMILESCOc1cccc(CC=O)c1C
InChIInChI=1S/C10H12O2/c1-8-9(6-7-11)4-3-5-10(8)12-2/h3-5,7H,6H2,1-2H3
InChIKeyWBVGPOAOIBVIHD-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
2-[2-(2,3-dimethoxyphenyl)phenyl]acetaldehyde
CID 87722000
2-(3-amino-2-methylphenyl)acetaldehyde
CID 174431818
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
1-[(3-methoxy-2-methylphenyl)methyl]-1-methylhydrazine
CID 119090080
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
1,2-dimethoxybenzene;propanal
CID 174258099
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylphenyl)acetaldehyde?
The IUPAC name of 2-(3-methoxy-2-methylphenyl)acetaldehyde (CID 144630578) is 2-(3-methoxy-2-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-methoxy-2-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(3-methoxy-2-methylphenyl)acetaldehyde is COc1cccc(CC=O)c1C.
What is the InChIKey of 2-(3-methoxy-2-methylphenyl)acetaldehyde?
The InChIKey is WBVGPOAOIBVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-9(6-7-11)4-3-5-10(8)12-2/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-methylphenyl)acetaldehyde?
2-(3-methoxy-2-methylphenyl)acetaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylphenyl)acetaldehyde is sourced from PubChem (CID 144630578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).