2-(2-chloro-6-methoxyphenyl)acetic acid

C9H9ClO3 — CID 22327488

IUPAC2-(2-chloro-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(Cl)c1CC(=O)O
InChIInChI=1S/C9H9ClO3/c1-13-8-4-2-3-7(10)6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyDVHQMZULSWDQIF-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)acetic acid

2-(2-chloro-6-methoxyphenyl)acetic acid (PubChem CID 22327488) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)acetic acid
PubChem CID22327488
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(2-chloro-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(Cl)c1CC(=O)O
InChIInChI=1S/C9H9ClO3/c1-13-8-4-2-3-7(10)6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyDVHQMZULSWDQIF-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)acetic acid (CID 22327488) is 2-(2-chloro-6-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)acetic acid is COc1cccc(Cl)c1CC(=O)O.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)acetic acid?
The InChIKey is DVHQMZULSWDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-13-8-4-2-3-7(10)6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)acetic acid?
2-(2-chloro-6-methoxyphenyl)acetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)acetic acid is sourced from PubChem (CID 22327488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).