(2-bromophenyl) dibutyl phosphite

C14H22BrO3P — CID 134288649

IUPAC(2-bromophenyl) dibutyl phosphite
SMILESCCCCOP(OCCCC)Oc1ccccc1Br
InChIInChI=1S/C14H22BrO3P/c1-3-5-11-16-19(17-12-6-4-2)18-14-10-8-7-9-13(14)15/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUHYXLVWRYUYCTD-UHFFFAOYSA-N
MW349.20 g/mol
LogP5.69
Rot. Bonds10

About (2-bromophenyl) dibutyl phosphite

(2-bromophenyl) dibutyl phosphite (PubChem CID 134288649) has the molecular formula C14H22BrO3P and a molecular weight of 349.20 g/mol. Its IUPAC name is (2-bromophenyl) dibutyl phosphite.

Molecular Properties

Compound Name(2-bromophenyl) dibutyl phosphite
PubChem CID134288649
Molecular FormulaC14H22BrO3P
Molecular Weight349.20 g/mol
Exact Mass348.05
IUPAC Name(2-bromophenyl) dibutyl phosphite
SMILESCCCCOP(OCCCC)Oc1ccccc1Br
InChIInChI=1S/C14H22BrO3P/c1-3-5-11-16-19(17-12-6-4-2)18-14-10-8-7-9-13(14)15/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUHYXLVWRYUYCTD-UHFFFAOYSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.20
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-bromophenyl) phosphite
CID 54277872
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
1-bromo-2-(butoxymethoxy)benzene
CID 15093582
(2-bromophenyl)methyl-butoxyphosphinous acid
CID 11507568
1-bromo-3-butoxy-2-methylbenzene
CID 148580780
(2,3-ditert-butylphenyl) didodecyl phosphite
CID 20512200
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
(4-tert-butylphenyl) didodecyl phosphite
CID 59608946
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
diethyl (2-hydroxyphenyl) phosphite
CID 23414626

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) dibutyl phosphite?
The IUPAC name of (2-bromophenyl) dibutyl phosphite (CID 134288649) is (2-bromophenyl) dibutyl phosphite.
What is the SMILES notation for (2-bromophenyl) dibutyl phosphite?
The canonical SMILES for (2-bromophenyl) dibutyl phosphite is CCCCOP(OCCCC)Oc1ccccc1Br.
What is the InChIKey of (2-bromophenyl) dibutyl phosphite?
The InChIKey is UHYXLVWRYUYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrO3P/c1-3-5-11-16-19(17-12-6-4-2)18-14-10-8-7-9-13(14)15/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of (2-bromophenyl) dibutyl phosphite?
(2-bromophenyl) dibutyl phosphite has a molecular weight of 349.20 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) dibutyl phosphite is sourced from PubChem (CID 134288649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).