2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride

C13H17ClO2 — CID 87162719

IUPAC2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
SMILESCOCC(C(=O)Cl)(c1ccccc1)C(C)C
InChIInChI=1S/C13H17ClO2/c1-10(2)13(9-16-3,12(14)15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyFPUQDLXVSFFNJB-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.99
Rot. Bonds5

About 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride

2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride (PubChem CID 87162719) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
PubChem CID87162719
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
SMILESCOCC(C(=O)Cl)(c1ccccc1)C(C)C
InChIInChI=1S/C13H17ClO2/c1-10(2)13(9-16-3,12(14)15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyFPUQDLXVSFFNJB-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
1-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 122565965
2-phenyl-2-propan-2-yloctadecanoic acid
CID 159693537
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
ethyl 3-hydroxy-4-methoxy-3-phenyl-2-propan-2-ylbutanoate
CID 103465940
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl] benzoate
CID 19985357
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
2,2-dibromo-2-phenylacetyl chloride
CID 56990356

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride?
The IUPAC name of 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride (CID 87162719) is 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride.
What is the SMILES notation for 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride?
The canonical SMILES for 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride is COCC(C(=O)Cl)(c1ccccc1)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride?
The InChIKey is FPUQDLXVSFFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-10(2)13(9-16-3,12(14)15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride?
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride has a molecular weight of 240.73 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride is sourced from PubChem (CID 87162719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).