(2-bromophenyl)-ethoxy-methylphosphane

C9H12BrOP — CID 139474536

IUPAC(2-bromophenyl)-ethoxy-methylphosphane
SMILESCCOP(C)c1ccccc1Br
InChIInChI=1S/C9H12BrOP/c1-3-11-12(2)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3
InChIKeyKZUNLXCETYJRFC-UHFFFAOYSA-N
MW247.07 g/mol
LogP3.14
Rot. Bonds3

About (2-bromophenyl)-ethoxy-methylphosphane

(2-bromophenyl)-ethoxy-methylphosphane (PubChem CID 139474536) has the molecular formula C9H12BrOP and a molecular weight of 247.07 g/mol. Its IUPAC name is (2-bromophenyl)-ethoxy-methylphosphane.

Molecular Properties

Compound Name(2-bromophenyl)-ethoxy-methylphosphane
PubChem CID139474536
Molecular FormulaC9H12BrOP
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name(2-bromophenyl)-ethoxy-methylphosphane
SMILESCCOP(C)c1ccccc1Br
InChIInChI=1S/C9H12BrOP/c1-3-11-12(2)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3
InChIKeyKZUNLXCETYJRFC-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-ethoxy-methylphosphane?
The IUPAC name of (2-bromophenyl)-ethoxy-methylphosphane (CID 139474536) is (2-bromophenyl)-ethoxy-methylphosphane.
What is the SMILES notation for (2-bromophenyl)-ethoxy-methylphosphane?
The canonical SMILES for (2-bromophenyl)-ethoxy-methylphosphane is CCOP(C)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-ethoxy-methylphosphane?
The InChIKey is KZUNLXCETYJRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrOP/c1-3-11-12(2)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3.
What are the key properties of (2-bromophenyl)-ethoxy-methylphosphane?
(2-bromophenyl)-ethoxy-methylphosphane has a molecular weight of 247.07 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-ethoxy-methylphosphane is sourced from PubChem (CID 139474536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).