methyl 2-chloro-4-hydroxybenzoate

C8H7ClO3 — CID 13498830

IUPACmethyl 2-chloro-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChIKeyBJZFMXJQJZUATE-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.83
Rot. Bonds1

About methyl 2-chloro-4-hydroxybenzoate

methyl 2-chloro-4-hydroxybenzoate (PubChem CID 13498830) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is methyl 2-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-hydroxybenzoate
PubChem CID13498830
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Namemethyl 2-chloro-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChIKeyBJZFMXJQJZUATE-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-hydroxybenzoate?
The IUPAC name of methyl 2-chloro-4-hydroxybenzoate (CID 13498830) is methyl 2-chloro-4-hydroxybenzoate.
What is the SMILES notation for methyl 2-chloro-4-hydroxybenzoate?
The canonical SMILES for methyl 2-chloro-4-hydroxybenzoate is COC(=O)c1ccc(O)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-hydroxybenzoate?
The InChIKey is BJZFMXJQJZUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3.
What are the key properties of methyl 2-chloro-4-hydroxybenzoate?
methyl 2-chloro-4-hydroxybenzoate has a molecular weight of 186.59 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-hydroxybenzoate is sourced from PubChem (CID 13498830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).