methyl 2-(3-chloro-4-formylphenyl)acetate

C10H9ClO3 — CID 59520437

IUPACmethyl 2-(3-chloro-4-formylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C10H9ClO3/c1-14-10(13)5-7-2-3-8(6-12)9(11)4-7/h2-4,6H,5H2,1H3
InChIKeyLJMUINROLXWVOI-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-(3-chloro-4-formylphenyl)acetate

methyl 2-(3-chloro-4-formylphenyl)acetate (PubChem CID 59520437) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-formylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-formylphenyl)acetate
PubChem CID59520437
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Namemethyl 2-(3-chloro-4-formylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C10H9ClO3/c1-14-10(13)5-7-2-3-8(6-12)9(11)4-7/h2-4,6H,5H2,1H3
InChIKeyLJMUINROLXWVOI-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 59627663
2-chloro-4-ethylbenzaldehyde
CID 14687915
methyl 2-(3-chloro-4-isocyanophenyl)acetate
CID 59377384
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-(3-chloro-4-propan-2-ylsulfanylphenyl)acetate
CID 105426799
2-chloro-4-(chloromethyl)benzaldehyde
CID 54148078
methyl 2-(5-chloro-2-formyl-4-methylphenyl)acetate
CID 171021917
methyl 2-[3-chloro-4-(2-sulfanylideneethylsulfanyl)phenyl]acetate
CID 143147341
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
methyl 2-(3-cyano-4-hydroxyphenyl)acetate;methyl 2-(3-formyl-4-hydroxyphenyl)acetate
CID 157063999
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-formylphenyl)acetate?
The IUPAC name of methyl 2-(3-chloro-4-formylphenyl)acetate (CID 59520437) is methyl 2-(3-chloro-4-formylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloro-4-formylphenyl)acetate?
The canonical SMILES for methyl 2-(3-chloro-4-formylphenyl)acetate is COC(=O)Cc1ccc(C=O)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-formylphenyl)acetate?
The InChIKey is LJMUINROLXWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-14-10(13)5-7-2-3-8(6-12)9(11)4-7/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-(3-chloro-4-formylphenyl)acetate?
methyl 2-(3-chloro-4-formylphenyl)acetate has a molecular weight of 212.63 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-formylphenyl)acetate is sourced from PubChem (CID 59520437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).