(2-bromo-6-ethoxyphenyl)phosphonic acid

C8H10BrO4P — CID 175587032

IUPAC(2-bromo-6-ethoxyphenyl)phosphonic acid
SMILESCCOc1cccc(Br)c1P(=O)(O)O
InChIInChI=1S/C8H10BrO4P/c1-2-13-7-5-3-4-6(9)8(7)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyGCKJQUWDHIQLEB-UHFFFAOYSA-N
MW281.04 g/mol
LogP1.65
Rot. Bonds3

About (2-bromo-6-ethoxyphenyl)phosphonic acid

(2-bromo-6-ethoxyphenyl)phosphonic acid (PubChem CID 175587032) has the molecular formula C8H10BrO4P and a molecular weight of 281.04 g/mol. Its IUPAC name is (2-bromo-6-ethoxyphenyl)phosphonic acid.

Molecular Properties

Compound Name(2-bromo-6-ethoxyphenyl)phosphonic acid
PubChem CID175587032
Molecular FormulaC8H10BrO4P
Molecular Weight281.04 g/mol
Exact Mass279.95
IUPAC Name(2-bromo-6-ethoxyphenyl)phosphonic acid
SMILESCCOc1cccc(Br)c1P(=O)(O)O
InChIInChI=1S/C8H10BrO4P/c1-2-13-7-5-3-4-6(9)8(7)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyGCKJQUWDHIQLEB-UHFFFAOYSA-N
XLogP1.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-bromo-6-ethoxyphenyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-ethoxybenzenethiol
CID 91874370
(2-ethoxyanthracen-1-yl)phosphonic acid
CID 152670322
1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
CID 83901907
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
CID 83899796
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
CID 134618841
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
(2-ethoxyphenyl) 2-bromobenzenesulfonate
CID 26948942
3-bromo-1-(2,6-diethoxyphenyl)propan-1-one
CID 134624450
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-ethoxyphenyl)phosphonic acid?
The IUPAC name of (2-bromo-6-ethoxyphenyl)phosphonic acid (CID 175587032) is (2-bromo-6-ethoxyphenyl)phosphonic acid.
What is the SMILES notation for (2-bromo-6-ethoxyphenyl)phosphonic acid?
The canonical SMILES for (2-bromo-6-ethoxyphenyl)phosphonic acid is CCOc1cccc(Br)c1P(=O)(O)O.
What is the InChIKey of (2-bromo-6-ethoxyphenyl)phosphonic acid?
The InChIKey is GCKJQUWDHIQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrO4P/c1-2-13-7-5-3-4-6(9)8(7)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12).
What are the key properties of (2-bromo-6-ethoxyphenyl)phosphonic acid?
(2-bromo-6-ethoxyphenyl)phosphonic acid has a molecular weight of 281.04 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-ethoxyphenyl)phosphonic acid is sourced from PubChem (CID 175587032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).