3-(2-methoxy-5-methylphenyl)-2-methylpropanal

C12H16O2 — CID 64666639

IUPAC3-(2-methoxy-5-methylphenyl)-2-methylpropanal
SMILESCOc1ccc(C)cc1CC(C)C=O
InChIInChI=1S/C12H16O2/c1-9-4-5-12(14-3)11(6-9)7-10(2)8-13/h4-6,8,10H,7H2,1-3H3
InChIKeyIPVYTNZMWBXWNQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds4

About 3-(2-methoxy-5-methylphenyl)-2-methylpropanal

3-(2-methoxy-5-methylphenyl)-2-methylpropanal (PubChem CID 64666639) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2-methylpropanal.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2-methylpropanal
PubChem CID64666639
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(2-methoxy-5-methylphenyl)-2-methylpropanal
SMILESCOc1ccc(C)cc1CC(C)C=O
InChIInChI=1S/C12H16O2/c1-9-4-5-12(14-3)11(6-9)7-10(2)8-13/h4-6,8,10H,7H2,1-3H3
InChIKeyIPVYTNZMWBXWNQ-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methoxy-5-methylphenyl)-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
3-(4-bromo-2-methoxyphenyl)-2-methylpropanal
CID 91884164
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
(2S)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546925
(2R)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546917
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methylpropanal?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methylpropanal (CID 64666639) is 3-(2-methoxy-5-methylphenyl)-2-methylpropanal.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2-methylpropanal?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2-methylpropanal is COc1ccc(C)cc1CC(C)C=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2-methylpropanal?
The InChIKey is IPVYTNZMWBXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-4-5-12(14-3)11(6-9)7-10(2)8-13/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2-methylpropanal?
3-(2-methoxy-5-methylphenyl)-2-methylpropanal has a molecular weight of 192.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2-methylpropanal is sourced from PubChem (CID 64666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).