2-chloroethyl 2-hydroxybenzoate

C9H9ClO3 — CID 13052757

IUPAC2-chloroethyl 2-hydroxybenzoate
SMILESO=C(OCCCl)c1ccccc1O
InChIInChI=1S/C9H9ClO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2
InChIKeyBLHPYAWAEMQCJD-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.79
Rot. Bonds3

About 2-chloroethyl 2-hydroxybenzoate

2-chloroethyl 2-hydroxybenzoate (PubChem CID 13052757) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloroethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-chloroethyl 2-hydroxybenzoate
PubChem CID13052757
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-chloroethyl 2-hydroxybenzoate
SMILESO=C(OCCCl)c1ccccc1O
InChIInChI=1S/C9H9ClO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2
InChIKeyBLHPYAWAEMQCJD-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethyl 2-hydroxybenzoate
CID 158044446
1-O-butyl 2-O-(2-chloroethyl) benzene-1,2-dicarboxylate
CID 6424033
2-O-(2-chloroethyl) 1-O-heptyl benzene-1,2-dicarboxylate
CID 6424032
2-O-(2-chloroethyl) 1-O-hexyl benzene-1,2-dicarboxylate
CID 6424034
hexyl 2-hydroxybenzoate
CID 22629
icosyl 2-hydroxybenzoate
CID 19044963
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
hexacosyl 2-hydroxybenzoate
CID 19044965
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
4,7-diaminoheptyl 2-hydroxybenzoate
CID 67177128
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-hydroxybenzoate?
The IUPAC name of 2-chloroethyl 2-hydroxybenzoate (CID 13052757) is 2-chloroethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-chloroethyl 2-hydroxybenzoate?
The canonical SMILES for 2-chloroethyl 2-hydroxybenzoate is O=C(OCCCl)c1ccccc1O.
What is the InChIKey of 2-chloroethyl 2-hydroxybenzoate?
The InChIKey is BLHPYAWAEMQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2.
What are the key properties of 2-chloroethyl 2-hydroxybenzoate?
2-chloroethyl 2-hydroxybenzoate has a molecular weight of 200.62 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-hydroxybenzoate is sourced from PubChem (CID 13052757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).