methyl 2-(2-chloro-6-methoxyphenyl)acetate

C10H11ClO3 — CID 170997137

IUPACmethyl 2-(2-chloro-6-methoxyphenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cccc1OC
InChIInChI=1S/C10H11ClO3/c1-13-9-5-3-4-8(11)7(9)6-10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyNRDUVNMQRWSDSN-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(2-chloro-6-methoxyphenyl)acetate

methyl 2-(2-chloro-6-methoxyphenyl)acetate (PubChem CID 170997137) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methoxyphenyl)acetate
PubChem CID170997137
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-(2-chloro-6-methoxyphenyl)acetate
SMILESCOC(=O)Cc1c(Cl)cccc1OC
InChIInChI=1S/C10H11ClO3/c1-13-9-5-3-4-8(11)7(9)6-10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyNRDUVNMQRWSDSN-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-butoxyethyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 99800490
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030
(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-chloro-6-methoxyphenyl)acetate (CID 170997137) is methyl 2-(2-chloro-6-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-6-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-6-methoxyphenyl)acetate is COC(=O)Cc1c(Cl)cccc1OC.
What is the InChIKey of methyl 2-(2-chloro-6-methoxyphenyl)acetate?
The InChIKey is NRDUVNMQRWSDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-9-5-3-4-8(11)7(9)6-10(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-methoxyphenyl)acetate?
methyl 2-(2-chloro-6-methoxyphenyl)acetate has a molecular weight of 214.65 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methoxyphenyl)acetate is sourced from PubChem (CID 170997137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).