2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid

C16H25O4P — CID 67930573

IUPAC2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid
SMILESCCP(CC)(CC)(CC)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H25O4P/c1-5-21(6-2,7-3,8-4)20-16(19)14-12-10-9-11-13(14)15(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyBSHGROZGAMZFLC-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.09
Rot. Bonds7

About 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid

2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid (PubChem CID 67930573) has the molecular formula C16H25O4P and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid
PubChem CID67930573
Molecular FormulaC16H25O4P
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid
SMILESCCP(CC)(CC)(CC)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H25O4P/c1-5-21(6-2,7-3,8-4)20-16(19)14-12-10-9-11-13(14)15(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyBSHGROZGAMZFLC-UHFFFAOYSA-N
XLogP4.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl benzoate;phthalic acid
CID 159584831
2-butoxycarbonylbenzoic acid;hydrate
CID 141267368
methanediol;phthalic acid
CID 70525231
phthalic acid;propanal
CID 160555514
decane;phthalic acid
CID 158763790
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
1-methoxypropane;phthalic acid
CID 174535712

Frequently Asked Questions

What is the IUPAC name of 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid (CID 67930573) is 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid is CCP(CC)(CC)(CC)OC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid?
The InChIKey is BSHGROZGAMZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O4P/c1-5-21(6-2,7-3,8-4)20-16(19)14-12-10-9-11-13(14)15(17)18/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid?
2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid has a molecular weight of 312.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid is sourced from PubChem (CID 67930573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).