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

C10H12O2 — CID 83826728

IUPAC2-methoxy-2-(3-methylphenyl)acetaldehyde
SMILESCOC(C=O)c1cccc(C)c1
InChIInChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)10(7-11)12-2/h3-7,10H,1-2H3
InChIKeySOUSPRPYRSVLQO-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.88
Rot. Bonds3

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

2-methoxy-2-(3-methylphenyl)acetaldehyde (PubChem CID 83826728) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methoxy-2-(3-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-(3-methylphenyl)acetaldehyde
PubChem CID83826728
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methoxy-2-(3-methylphenyl)acetaldehyde
SMILESCOC(C=O)c1cccc(C)c1
InChIInChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)10(7-11)12-2/h3-7,10H,1-2H3
InChIKeySOUSPRPYRSVLQO-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-bromophenyl)-2-methoxyacetaldehyde
CID 83840143
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
methoxy-(3-methylphenyl)methanamine
CID 116947345
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
2-(3,4-dibromophenyl)-2-methoxyacetaldehyde
CID 130646189
1-(3-methylphenyl)ethyl formate
CID 118679969
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(3-methylphenyl)prop-2-enyl hydrogen carbonate
CID 175208386
2-(4-fluorophenyl)-2-methoxyacetaldehyde
CID 83827030
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine
CID 46930333

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-methylphenyl)acetaldehyde?
The IUPAC name of 2-methoxy-2-(3-methylphenyl)acetaldehyde (CID 83826728) is 2-methoxy-2-(3-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-methoxy-2-(3-methylphenyl)acetaldehyde?
The canonical SMILES for 2-methoxy-2-(3-methylphenyl)acetaldehyde is COC(C=O)c1cccc(C)c1.
What is the InChIKey of 2-methoxy-2-(3-methylphenyl)acetaldehyde?
The InChIKey is SOUSPRPYRSVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)10(7-11)12-2/h3-7,10H,1-2H3.
What are the key properties of 2-methoxy-2-(3-methylphenyl)acetaldehyde?
2-methoxy-2-(3-methylphenyl)acetaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-methylphenyl)acetaldehyde is sourced from PubChem (CID 83826728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).