2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde

C12H16O3 — CID 112610920

IUPAC2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
SMILESCOCC(C)Oc1c(C)cccc1C=O
InChIInChI=1S/C12H16O3/c1-9-5-4-6-11(7-13)12(9)15-10(2)8-14-3/h4-7,10H,8H2,1-3H3
InChIKeyIZDVUEQHLRJQGL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.22
Rot. Bonds5

About 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde

2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde (PubChem CID 112610920) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
PubChem CID112610920
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
SMILESCOCC(C)Oc1c(C)cccc1C=O
InChIInChI=1S/C12H16O3/c1-9-5-4-6-11(7-13)12(9)15-10(2)8-14-3/h4-7,10H,8H2,1-3H3
InChIKeyIZDVUEQHLRJQGL-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
CID 112611562
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
2-[2-(3-bromophenoxy)ethoxy]-3-methylbenzaldehyde
CID 115955560
2-[2-(4-methoxyphenyl)ethoxy]-3-methylbenzaldehyde
CID 115955548
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde (CID 112610920) is 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde is COCC(C)Oc1c(C)cccc1C=O.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde?
The InChIKey is IZDVUEQHLRJQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-5-4-6-11(7-13)12(9)15-10(2)8-14-3/h4-7,10H,8H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde?
2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde has a molecular weight of 208.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde is sourced from PubChem (CID 112610920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).