ethyl 2-(bromomethyl)-6-hydroxybenzoate

C10H11BrO3 — CID 69031020

IUPACethyl 2-(bromomethyl)-6-hydroxybenzoate
SMILESCCOC(=O)c1c(O)cccc1CBr
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5,12H,2,6H2,1H3
InChIKeyAIMOIGCLGQTQLB-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.46
Rot. Bonds3

About ethyl 2-(bromomethyl)-6-hydroxybenzoate

ethyl 2-(bromomethyl)-6-hydroxybenzoate (PubChem CID 69031020) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-(bromomethyl)-6-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2-(bromomethyl)-6-hydroxybenzoate
PubChem CID69031020
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl 2-(bromomethyl)-6-hydroxybenzoate
SMILESCCOC(=O)c1c(O)cccc1CBr
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5,12H,2,6H2,1H3
InChIKeyAIMOIGCLGQTQLB-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.46
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

ethyl 2-(3-bromo-2-oxopropyl)-6-hydroxybenzoate
CID 134641025
ethyl 2-(3-bromopropyl)-6-hydroxybenzoate
CID 134642008
3-[3-(bromomethyl)-2-ethoxycarbonylphenyl]propanoic acid
CID 134648712
ethyl 2-(bromomethyl)-6-(3-chloro-2-oxopropyl)benzoate
CID 134648977
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
ethyl 3-(bromomethyl)-2-cyano-6-hydroxybenzoate
CID 131459529
2-(bromomethyl)-6-hydroxybenzamide
CID 133057810
ethyl 3-(bromomethyl)-2-(2-chloropropanoyl)benzoate
CID 134648939
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoate
CID 102317584
ethyl 3-(bromomethyl)-2,6-difluorobenzoate
CID 171016702
ethyl 2-(3-bromo-2-oxopropyl)-6-iodobenzoate
CID 134642723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(bromomethyl)-6-hydroxybenzoate?
The IUPAC name of ethyl 2-(bromomethyl)-6-hydroxybenzoate (CID 69031020) is ethyl 2-(bromomethyl)-6-hydroxybenzoate.
What is the SMILES notation for ethyl 2-(bromomethyl)-6-hydroxybenzoate?
The canonical SMILES for ethyl 2-(bromomethyl)-6-hydroxybenzoate is CCOC(=O)c1c(O)cccc1CBr.
What is the InChIKey of ethyl 2-(bromomethyl)-6-hydroxybenzoate?
The InChIKey is AIMOIGCLGQTQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-14-10(13)9-7(6-11)4-3-5-8(9)12/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 2-(bromomethyl)-6-hydroxybenzoate?
ethyl 2-(bromomethyl)-6-hydroxybenzoate has a molecular weight of 259.10 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(bromomethyl)-6-hydroxybenzoate is sourced from PubChem (CID 69031020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).