acetic acid;bromobenzene;hexylphosphane

C14H24BrO2P — CID 175278316

IUPACacetic acid;bromobenzene;hexylphosphane
SMILESBrc1ccccc1.CC(=O)O.CCCCCCP
InChIInChI=1S/C6H5Br.C6H15P.C2H4O2/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;1-2(3)4/h1-5H;2-7H2,1H3;1H3,(H,3,4)
InChIKeyZLQFLSCFARKJET-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.98
Rot. Bonds4

About acetic acid;bromobenzene;hexylphosphane

acetic acid;bromobenzene;hexylphosphane (PubChem CID 175278316) has the molecular formula C14H24BrO2P and a molecular weight of 335.22 g/mol. Its IUPAC name is acetic acid;bromobenzene;hexylphosphane.

Molecular Properties

Compound Nameacetic acid;bromobenzene;hexylphosphane
PubChem CID175278316
Molecular FormulaC14H24BrO2P
Molecular Weight335.22 g/mol
Exact Mass334.07
IUPAC Nameacetic acid;bromobenzene;hexylphosphane
SMILESBrc1ccccc1.CC(=O)O.CCCCCCP
InChIInChI=1S/C6H5Br.C6H15P.C2H4O2/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;1-2(3)4/h1-5H;2-7H2,1H3;1H3,(H,3,4)
InChIKeyZLQFLSCFARKJET-UHFFFAOYSA-N
XLogP4.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

benzoic acid;tetradecylphosphane
CID 175118977
hexylphosphane;phenol
CID 174816842
bromobenzene;1-chloropentane
CID 174314793
acetic acid;nonane
CID 174272180
acetic acid;decane
CID 172853582
bromobenzene;ethanol
CID 134249194
decane;phthalic acid
CID 158763790
hexane;1-phenylethanone
CID 160797049
hexanoic acid;tetradecylphosphane
CID 175307671
1,1'-biphenyl;heptadecan-9-one
CID 19613965
ruthenium;tridecylphosphane
CID 159569065
nonylphosphane;hydrobromide
CID 173198265

Frequently Asked Questions

What is the IUPAC name of acetic acid;bromobenzene;hexylphosphane?
The IUPAC name of acetic acid;bromobenzene;hexylphosphane (CID 175278316) is acetic acid;bromobenzene;hexylphosphane.
What is the SMILES notation for acetic acid;bromobenzene;hexylphosphane?
The canonical SMILES for acetic acid;bromobenzene;hexylphosphane is Brc1ccccc1.CC(=O)O.CCCCCCP.
What is the InChIKey of acetic acid;bromobenzene;hexylphosphane?
The InChIKey is ZLQFLSCFARKJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C6H15P.C2H4O2/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;1-2(3)4/h1-5H;2-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;bromobenzene;hexylphosphane?
acetic acid;bromobenzene;hexylphosphane has a molecular weight of 335.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bromobenzene;hexylphosphane is sourced from PubChem (CID 175278316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).