(4-ethylphenyl)-phenylphosphinic acid

C14H15O2P — CID 141028153

IUPAC(4-ethylphenyl)-phenylphosphinic acid
SMILESCCc1ccc(P(=O)(O)c2ccccc2)cc1
InChIInChI=1S/C14H15O2P/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,15,16)
InChIKeyQADROBQVACVJEF-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.47
Rot. Bonds3

About (4-ethylphenyl)-phenylphosphinic acid

(4-ethylphenyl)-phenylphosphinic acid (PubChem CID 141028153) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is (4-ethylphenyl)-phenylphosphinic acid.

Molecular Properties

Compound Name(4-ethylphenyl)-phenylphosphinic acid
PubChem CID141028153
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Name(4-ethylphenyl)-phenylphosphinic acid
SMILESCCc1ccc(P(=O)(O)c2ccccc2)cc1
InChIInChI=1S/C14H15O2P/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,15,16)
InChIKeyQADROBQVACVJEF-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.47
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

bis(4-ethylphenyl)phosphinic acid
CID 23160701
diphenylphosphinic acid chloride
CID 53401992
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
bis(4-propylphenyl)phosphinic acid
CID 135350466
ethylcyclodecapentaene
CID 90861705
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(4-ethylphenyl)benzamide
CID 774063
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
naphthalen-2-yl(phenyl)phosphinic acid
CID 102162733
ethane;ethylbenzene;methanol
CID 90833594
2-diphenylphosphoryloxy-1-(4-ethylphenyl)ethanol
CID 175039386

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-phenylphosphinic acid?
The IUPAC name of (4-ethylphenyl)-phenylphosphinic acid (CID 141028153) is (4-ethylphenyl)-phenylphosphinic acid.
What is the SMILES notation for (4-ethylphenyl)-phenylphosphinic acid?
The canonical SMILES for (4-ethylphenyl)-phenylphosphinic acid is CCc1ccc(P(=O)(O)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-phenylphosphinic acid?
The InChIKey is QADROBQVACVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,15,16).
What are the key properties of (4-ethylphenyl)-phenylphosphinic acid?
(4-ethylphenyl)-phenylphosphinic acid has a molecular weight of 246.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-phenylphosphinic acid is sourced from PubChem (CID 141028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).