(2,3-dichloro-6-methylphenyl) acetate

C9H8Cl2O2 — CID 59058146

IUPAC(2,3-dichloro-6-methylphenyl) acetate
SMILESCC(=O)Oc1c(C)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-3-4-7(10)8(11)9(5)13-6(2)12/h3-4H,1-2H3
InChIKeyBXFIWHSZZZKYEG-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.23
Rot. Bonds1

About (2,3-dichloro-6-methylphenyl) acetate

(2,3-dichloro-6-methylphenyl) acetate (PubChem CID 59058146) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is (2,3-dichloro-6-methylphenyl) acetate.

Molecular Properties

Compound Name(2,3-dichloro-6-methylphenyl) acetate
PubChem CID59058146
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name(2,3-dichloro-6-methylphenyl) acetate
SMILESCC(=O)Oc1c(C)ccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O2/c1-5-3-4-7(10)8(11)9(5)13-6(2)12/h3-4H,1-2H3
InChIKeyBXFIWHSZZZKYEG-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
(3-bromo-2,6-dimethylphenyl) acetate
CID 154301591
(3-chloro-2,6-difluorophenyl) acetate
CID 134561952
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
CID 159078208
ethyl 2-[(3-acetyloxy-2,4-dichlorophenyl)methyl]prop-2-enoate
CID 140649239
(4-amino-2-chloro-6-methylphenyl) acetate
CID 143294448
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(2-methyl-9,10-dioxoanthracen-1-yl) acetate
CID 5146503
(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate
CID 54244188
(2,3-diacetyloxy-4-methylphenyl) acetate;(3,4,5-triacetyloxy-2-methylphenyl) acetate
CID 88611295
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-6-methylphenyl) acetate?
The IUPAC name of (2,3-dichloro-6-methylphenyl) acetate (CID 59058146) is (2,3-dichloro-6-methylphenyl) acetate.
What is the SMILES notation for (2,3-dichloro-6-methylphenyl) acetate?
The canonical SMILES for (2,3-dichloro-6-methylphenyl) acetate is CC(=O)Oc1c(C)ccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-6-methylphenyl) acetate?
The InChIKey is BXFIWHSZZZKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-5-3-4-7(10)8(11)9(5)13-6(2)12/h3-4H,1-2H3.
What are the key properties of (2,3-dichloro-6-methylphenyl) acetate?
(2,3-dichloro-6-methylphenyl) acetate has a molecular weight of 219.07 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-6-methylphenyl) acetate is sourced from PubChem (CID 59058146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).