(4-chloro-2,5-dimethoxyphenyl) acetate

C10H11ClO4 — CID 165356212

IUPAC(4-chloro-2,5-dimethoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)c(OC)cc1Cl
InChIInChI=1S/C10H11ClO4/c1-6(12)15-10-5-8(13-2)7(11)4-9(10)14-3/h4-5H,1-3H3
InChIKeyFEKFABYKFGSFCU-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.28
Rot. Bonds3

About (4-chloro-2,5-dimethoxyphenyl) acetate

(4-chloro-2,5-dimethoxyphenyl) acetate (PubChem CID 165356212) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is (4-chloro-2,5-dimethoxyphenyl) acetate.

Molecular Properties

Compound Name(4-chloro-2,5-dimethoxyphenyl) acetate
PubChem CID165356212
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name(4-chloro-2,5-dimethoxyphenyl) acetate
SMILESCOc1cc(OC(C)=O)c(OC)cc1Cl
InChIInChI=1S/C10H11ClO4/c1-6(12)15-10-5-8(13-2)7(11)4-9(10)14-3/h4-5H,1-3H3
InChIKeyFEKFABYKFGSFCU-UHFFFAOYSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methoxyphenyl) acetate
CID 45073631
(2-iodo-4,5-dimethoxyphenyl) acetate
CID 171366364
(2-acetamido-4,5-dimethoxyphenyl) acetate
CID 102408596
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
methyl 2-acetyloxy-4,5-dichlorobenzoate
CID 23046714
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethoxyphenyl) acetate?
The IUPAC name of (4-chloro-2,5-dimethoxyphenyl) acetate (CID 165356212) is (4-chloro-2,5-dimethoxyphenyl) acetate.
What is the SMILES notation for (4-chloro-2,5-dimethoxyphenyl) acetate?
The canonical SMILES for (4-chloro-2,5-dimethoxyphenyl) acetate is COc1cc(OC(C)=O)c(OC)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethoxyphenyl) acetate?
The InChIKey is FEKFABYKFGSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-6(12)15-10-5-8(13-2)7(11)4-9(10)14-3/h4-5H,1-3H3.
What are the key properties of (4-chloro-2,5-dimethoxyphenyl) acetate?
(4-chloro-2,5-dimethoxyphenyl) acetate has a molecular weight of 230.65 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethoxyphenyl) acetate is sourced from PubChem (CID 165356212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).