bis(4-propylphenyl)phosphinic acid

C18H23O2P — CID 135350466

IUPACbis(4-propylphenyl)phosphinic acid
SMILESCCCc1ccc(P(=O)(O)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C18H23O2P/c1-3-5-15-7-11-17(12-8-15)21(19,20)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3,(H,19,20)
InChIKeyNWPMCAWFKKWGHQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.81
Rot. Bonds6

About bis(4-propylphenyl)phosphinic acid

bis(4-propylphenyl)phosphinic acid (PubChem CID 135350466) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is bis(4-propylphenyl)phosphinic acid.

Molecular Properties

Compound Namebis(4-propylphenyl)phosphinic acid
PubChem CID135350466
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Namebis(4-propylphenyl)phosphinic acid
SMILESCCCc1ccc(P(=O)(O)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C18H23O2P/c1-3-5-15-7-11-17(12-8-15)21(19,20)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3,(H,19,20)
InChIKeyNWPMCAWFKKWGHQ-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.81
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

(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid
CID 19011083
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
bis[4-(butylamino)phenyl]phosphinic acid
CID 139517434
1-bis(4-hexadecylphenyl)phosphoryl-4-hexadecylbenzene
CID 101073321
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
1-(4-propylphenyl)propan-2-one
CID 82490574
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
CID 130028653
ethane;4-propylbenzoic acid
CID 91047964
N-pentyl-4-propylbenzamide
CID 70894308
nickel;nonylbenzene;(4-nonylphenyl)phosphonic acid
CID 157108010
(4-heptyl-2,6-dimethylbenzoyl)-(4-pentylphenyl)phosphinic acid
CID 155257563

Frequently Asked Questions

What is the IUPAC name of bis(4-propylphenyl)phosphinic acid?
The IUPAC name of bis(4-propylphenyl)phosphinic acid (CID 135350466) is bis(4-propylphenyl)phosphinic acid.
What is the SMILES notation for bis(4-propylphenyl)phosphinic acid?
The canonical SMILES for bis(4-propylphenyl)phosphinic acid is CCCc1ccc(P(=O)(O)c2ccc(CCC)cc2)cc1.
What is the InChIKey of bis(4-propylphenyl)phosphinic acid?
The InChIKey is NWPMCAWFKKWGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-3-5-15-7-11-17(12-8-15)21(19,20)18-13-9-16(6-4-2)10-14-18/h7-14H,3-6H2,1-2H3,(H,19,20).
What are the key properties of bis(4-propylphenyl)phosphinic acid?
bis(4-propylphenyl)phosphinic acid has a molecular weight of 302.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-propylphenyl)phosphinic acid is sourced from PubChem (CID 135350466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).