4-bromo-3-chloro-2-(phosphanylmethyl)phenol

C7H7BrClOP — CID 156723445

IUPAC4-bromo-3-chloro-2-(phosphanylmethyl)phenol
SMILESOc1ccc(Br)c(Cl)c1CP
InChIInChI=1S/C7H7BrClOP/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,10H,3,11H2
InChIKeyOWFVXEBJPLSREA-UHFFFAOYSA-N
MW253.46 g/mol
LogP3.18
Rot. Bonds1

About 4-bromo-3-chloro-2-(phosphanylmethyl)phenol

4-bromo-3-chloro-2-(phosphanylmethyl)phenol (PubChem CID 156723445) has the molecular formula C7H7BrClOP and a molecular weight of 253.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-(phosphanylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-chloro-2-(phosphanylmethyl)phenol
PubChem CID156723445
Molecular FormulaC7H7BrClOP
Molecular Weight253.46 g/mol
Exact Mass251.91
IUPAC Name4-bromo-3-chloro-2-(phosphanylmethyl)phenol
SMILESOc1ccc(Br)c(Cl)c1CP
InChIInChI=1S/C7H7BrClOP/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,10H,3,11H2
InChIKeyOWFVXEBJPLSREA-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-3-chloro-2-methylphenol;ethane
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4-bromo-3-chloro-2-methylsulfanylphenol
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4-bromo-2-(methoxymethyl)-3-methylphenol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-(phosphanylmethyl)phenol?
The IUPAC name of 4-bromo-3-chloro-2-(phosphanylmethyl)phenol (CID 156723445) is 4-bromo-3-chloro-2-(phosphanylmethyl)phenol.
What is the SMILES notation for 4-bromo-3-chloro-2-(phosphanylmethyl)phenol?
The canonical SMILES for 4-bromo-3-chloro-2-(phosphanylmethyl)phenol is Oc1ccc(Br)c(Cl)c1CP.
What is the InChIKey of 4-bromo-3-chloro-2-(phosphanylmethyl)phenol?
The InChIKey is OWFVXEBJPLSREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClOP/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,10H,3,11H2.
What are the key properties of 4-bromo-3-chloro-2-(phosphanylmethyl)phenol?
4-bromo-3-chloro-2-(phosphanylmethyl)phenol has a molecular weight of 253.46 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-(phosphanylmethyl)phenol is sourced from PubChem (CID 156723445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).