(3-bromophenoxy)-methylphosphinic acid

C7H8BrO3P — CID 174796798

IUPAC(3-bromophenoxy)-methylphosphinic acid
SMILESCP(=O)(O)Oc1cccc(Br)c1
InChIInChI=1S/C7H8BrO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3,(H,9,10)
InChIKeyPBDHKWOGZJJLEK-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.64
Rot. Bonds2

About (3-bromophenoxy)-methylphosphinic acid

(3-bromophenoxy)-methylphosphinic acid (PubChem CID 174796798) has the molecular formula C7H8BrO3P and a molecular weight of 251.02 g/mol. Its IUPAC name is (3-bromophenoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(3-bromophenoxy)-methylphosphinic acid
PubChem CID174796798
Molecular FormulaC7H8BrO3P
Molecular Weight251.02 g/mol
Exact Mass249.94
IUPAC Name(3-bromophenoxy)-methylphosphinic acid
SMILESCP(=O)(O)Oc1cccc(Br)c1
InChIInChI=1S/C7H8BrO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3,(H,9,10)
InChIKeyPBDHKWOGZJJLEK-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl) dimethyl phosphate
CID 526167
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
1-bromo-3-(diethoxyphosphorylmethoxy)benzene
CID 156817200
(3-bromophenyl) formate
CID 23207322
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
propan-2-yl 2-(3-bromophenoxy)prop-2-enoate
CID 175389875
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
(3-bromophenyl) 1-methylcyclopropane-1-carboxylate
CID 67255630
CID 57202540
CID 57202540
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
1-bromo-3-ethoxybenzene;ethane
CID 143900364

Frequently Asked Questions

What is the IUPAC name of (3-bromophenoxy)-methylphosphinic acid?
The IUPAC name of (3-bromophenoxy)-methylphosphinic acid (CID 174796798) is (3-bromophenoxy)-methylphosphinic acid.
What is the SMILES notation for (3-bromophenoxy)-methylphosphinic acid?
The canonical SMILES for (3-bromophenoxy)-methylphosphinic acid is CP(=O)(O)Oc1cccc(Br)c1.
What is the InChIKey of (3-bromophenoxy)-methylphosphinic acid?
The InChIKey is PBDHKWOGZJJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3,(H,9,10).
What are the key properties of (3-bromophenoxy)-methylphosphinic acid?
(3-bromophenoxy)-methylphosphinic acid has a molecular weight of 251.02 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenoxy)-methylphosphinic acid is sourced from PubChem (CID 174796798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).