2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid

C9H9ClO4 — CID 54593777

IUPAC2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid
SMILESCc1cc(Cl)c(O)cc1OCC(=O)O
InChIInChI=1S/C9H9ClO4/c1-5-2-6(10)7(11)3-8(5)14-4-9(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyBVDLJZXNQCPLAM-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid

2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid (PubChem CID 54593777) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid
PubChem CID54593777
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid
SMILESCc1cc(Cl)c(O)cc1OCC(=O)O
InChIInChI=1S/C9H9ClO4/c1-5-2-6(10)7(11)3-8(5)14-4-9(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyBVDLJZXNQCPLAM-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid (CID 54593777) is 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid is Cc1cc(Cl)c(O)cc1OCC(=O)O.
What is the InChIKey of 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid?
The InChIKey is BVDLJZXNQCPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-5-2-6(10)7(11)3-8(5)14-4-9(12)13/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid?
2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid has a molecular weight of 216.62 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid is sourced from PubChem (CID 54593777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).