(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride

C11H13ClO — CID 42328007

IUPAC(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
SMILESCc1ccccc1C[C@@H](C)C(=O)Cl
InChIInChI=1S/C11H13ClO/c1-8-5-3-4-6-10(8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyARJLUYHOIORGNR-SECBINFHSA-N
MW196.68 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride

(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride (PubChem CID 42328007) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride.

Molecular Properties

Compound Name(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
PubChem CID42328007
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
SMILESCc1ccccc1C[C@@H](C)C(=O)Cl
InChIInChI=1S/C11H13ClO/c1-8-5-3-4-6-10(8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyARJLUYHOIORGNR-SECBINFHSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
(2S)-2-(aminomethylamino)-3-(2-methylphenyl)propanamide
CID 142008775
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
5-chloro-3-[(2-methylphenyl)methyl]pentan-2-one
CID 103344201
CID 67672299
CID 67672299
1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride?
The IUPAC name of (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride (CID 42328007) is (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride.
What is the SMILES notation for (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride?
The canonical SMILES for (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride is Cc1ccccc1C[C@@H](C)C(=O)Cl.
What is the InChIKey of (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride?
The InChIKey is ARJLUYHOIORGNR-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClO/c1-8-5-3-4-6-10(8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride?
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride has a molecular weight of 196.68 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride is sourced from PubChem (CID 42328007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).