2-(3-chloro-2,5-dimethylphenyl)acetyl chloride

C10H10Cl2O — CID 163303747

IUPAC2-(3-chloro-2,5-dimethylphenyl)acetyl chloride
SMILESCc1cc(Cl)c(C)c(CC(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-6-3-8(5-10(12)13)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyDPQMBEBFLFJJCR-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.26
Rot. Bonds2

About 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride

2-(3-chloro-2,5-dimethylphenyl)acetyl chloride (PubChem CID 163303747) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-chloro-2,5-dimethylphenyl)acetyl chloride
PubChem CID163303747
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name2-(3-chloro-2,5-dimethylphenyl)acetyl chloride
SMILESCc1cc(Cl)c(C)c(CC(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-6-3-8(5-10(12)13)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyDPQMBEBFLFJJCR-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.26
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

3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
CID 117288127
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
1-[2-(3-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481526
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
3-chloro-2,5-dimethylbenzamide
CID 171008035
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570
2-chloro-4-methyl-6-propylbenzoic acid
CID 142472953
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride?
The IUPAC name of 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride (CID 163303747) is 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride.
What is the SMILES notation for 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride?
The canonical SMILES for 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride is Cc1cc(Cl)c(C)c(CC(=O)Cl)c1.
What is the InChIKey of 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride?
The InChIKey is DPQMBEBFLFJJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-6-3-8(5-10(12)13)7(2)9(11)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride?
2-(3-chloro-2,5-dimethylphenyl)acetyl chloride has a molecular weight of 217.09 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,5-dimethylphenyl)acetyl chloride is sourced from PubChem (CID 163303747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).