methyl 2-(2-chloro-5-methylphenyl)acetate

C10H11ClO2 — CID 86187737

IUPACmethyl 2-(2-chloro-5-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-7-3-4-9(11)8(5-7)6-10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyGXLJKVJEZGECAS-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.36
Rot. Bonds2

About methyl 2-(2-chloro-5-methylphenyl)acetate

methyl 2-(2-chloro-5-methylphenyl)acetate (PubChem CID 86187737) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is methyl 2-(2-chloro-5-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-5-methylphenyl)acetate
PubChem CID86187737
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Namemethyl 2-(2-chloro-5-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(C)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-7-3-4-9(11)8(5-7)6-10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyGXLJKVJEZGECAS-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
[4-chloro-3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 167741195
methyl 2-[2-(3-chloro-2-oxopropyl)-5-methylphenyl]acetate
CID 134614159
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
CID 54155467
methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
methyl 2-(4-chloro-2-methyl-3-nitrophenyl)acetate
CID 171030192
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
methyl 2-[2-(3-bromopropanoyl)-5-methylphenyl]acetate
CID 134614162
methyl 2-[4-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171014254

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-5-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-chloro-5-methylphenyl)acetate (CID 86187737) is methyl 2-(2-chloro-5-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-5-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-5-methylphenyl)acetate is COC(=O)Cc1cc(C)ccc1Cl.
What is the InChIKey of methyl 2-(2-chloro-5-methylphenyl)acetate?
The InChIKey is GXLJKVJEZGECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7-3-4-9(11)8(5-7)6-10(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-5-methylphenyl)acetate?
methyl 2-(2-chloro-5-methylphenyl)acetate has a molecular weight of 198.65 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-5-methylphenyl)acetate is sourced from PubChem (CID 86187737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).