(3-chloro-2,5-dimethylphenyl) acetate

C10H11ClO2 — CID 175455570

IUPAC(3-chloro-2,5-dimethylphenyl) acetate
SMILESCC(=O)Oc1cc(C)cc(Cl)c1C
InChIInChI=1S/C10H11ClO2/c1-6-4-9(11)7(2)10(5-6)13-8(3)12/h4-5H,1-3H3
InChIKeyFQKPHXYVAJNANE-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.88
Rot. Bonds1

About (3-chloro-2,5-dimethylphenyl) acetate

(3-chloro-2,5-dimethylphenyl) acetate (PubChem CID 175455570) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (3-chloro-2,5-dimethylphenyl) acetate.

Molecular Properties

Compound Name(3-chloro-2,5-dimethylphenyl) acetate
PubChem CID175455570
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(3-chloro-2,5-dimethylphenyl) acetate
SMILESCC(=O)Oc1cc(C)cc(Cl)c1C
InChIInChI=1S/C10H11ClO2/c1-6-4-9(11)7(2)10(5-6)13-8(3)12/h4-5H,1-3H3
InChIKeyFQKPHXYVAJNANE-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-chloro-2,5-dimethylphenyl) acetate 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

(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
3-acetyloxy-2,5-dimethylbenzoic acid;(3-carbonochloridoyl-2,5-dimethylphenyl) acetate;dichloromethane;methane
CID 159229486
(E)-3-(2,6-diacetyloxy-4-methylphenyl)prop-2-enoic acid
CID 58123080
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
(6-methyl-1,3-benzodioxol-4-yl) acetate
CID 59796488
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
3-chloro-2,5-dimethylbenzamide
CID 171008035

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,5-dimethylphenyl) acetate?
The IUPAC name of (3-chloro-2,5-dimethylphenyl) acetate (CID 175455570) is (3-chloro-2,5-dimethylphenyl) acetate.
What is the SMILES notation for (3-chloro-2,5-dimethylphenyl) acetate?
The canonical SMILES for (3-chloro-2,5-dimethylphenyl) acetate is CC(=O)Oc1cc(C)cc(Cl)c1C.
What is the InChIKey of (3-chloro-2,5-dimethylphenyl) acetate?
The InChIKey is FQKPHXYVAJNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6-4-9(11)7(2)10(5-6)13-8(3)12/h4-5H,1-3H3.
What are the key properties of (3-chloro-2,5-dimethylphenyl) acetate?
(3-chloro-2,5-dimethylphenyl) acetate has a molecular weight of 198.65 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,5-dimethylphenyl) acetate is sourced from PubChem (CID 175455570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).