2-methoxy-2-methyl-4-phenylbutanal

C12H16O2 — CID 105446188

IUPAC2-methoxy-2-methyl-4-phenylbutanal
SMILESCOC(C)(C=O)CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-12(10-13,14-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyMZNXAPMVRLUSQP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.22
Rot. Bonds5

About 2-methoxy-2-methyl-4-phenylbutanal

2-methoxy-2-methyl-4-phenylbutanal (PubChem CID 105446188) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methoxy-2-methyl-4-phenylbutanal.

Molecular Properties

Compound Name2-methoxy-2-methyl-4-phenylbutanal
PubChem CID105446188
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-methoxy-2-methyl-4-phenylbutanal
SMILESCOC(C)(C=O)CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-12(10-13,14-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyMZNXAPMVRLUSQP-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.22
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-methoxy-2-methyl-4-(3-methylphenyl)butanal
CID 105459149
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
2,2-dimethoxy-3-phenylpropanal
CID 12836204
2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide
CID 22593896
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
2,2-dimethoxy-1,4-diphenylbutan-1-one
CID 156787489
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
2-methoxyethylbenzene
CID 19089
[(E)-5,5-dimethoxyhex-3-enyl]benzene
CID 10656559
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
3,3-bis(tert-butylperoxy)butylbenzene
CID 139605327

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-4-phenylbutanal?
The IUPAC name of 2-methoxy-2-methyl-4-phenylbutanal (CID 105446188) is 2-methoxy-2-methyl-4-phenylbutanal.
What is the SMILES notation for 2-methoxy-2-methyl-4-phenylbutanal?
The canonical SMILES for 2-methoxy-2-methyl-4-phenylbutanal is COC(C)(C=O)CCc1ccccc1.
What is the InChIKey of 2-methoxy-2-methyl-4-phenylbutanal?
The InChIKey is MZNXAPMVRLUSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(10-13,14-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-methoxy-2-methyl-4-phenylbutanal?
2-methoxy-2-methyl-4-phenylbutanal has a molecular weight of 192.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-4-phenylbutanal is sourced from PubChem (CID 105446188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).