2-(2,5-dimethoxyphenyl)-2-methylpropanal

C12H16O3 — CID 82077627

IUPAC2-(2,5-dimethoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(OC)c(C(C)(C)C=O)c1
InChIInChI=1S/C12H16O3/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-8H,1-4H3
InChIKeyONBRHKXICPXUIV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.18
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-2-methylpropanal

2-(2,5-dimethoxyphenyl)-2-methylpropanal (PubChem CID 82077627) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-methylpropanal
PubChem CID82077627
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2,5-dimethoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(OC)c(C(C)(C)C=O)c1
InChIInChI=1S/C12H16O3/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-8H,1-4H3
InChIKeyONBRHKXICPXUIV-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.18
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

2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
CID 105485586
2-(2,5-dimethoxyphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 63689078
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
(2,4-dimethoxyphenyl) formate
CID 11137749
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
CID 104656188
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-methylpropanal?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-methylpropanal (CID 82077627) is 2-(2,5-dimethoxyphenyl)-2-methylpropanal.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-methylpropanal?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-methylpropanal is COc1ccc(OC)c(C(C)(C)C=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-methylpropanal?
The InChIKey is ONBRHKXICPXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,8-13)10-7-9(14-3)5-6-11(10)15-4/h5-8H,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-methylpropanal?
2-(2,5-dimethoxyphenyl)-2-methylpropanal has a molecular weight of 208.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-methylpropanal is sourced from PubChem (CID 82077627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).