hexadecyl(phenyl)phosphinous acid

C22H39OP — CID 22292084

IUPAChexadecyl(phenyl)phosphinous acid
SMILESCCCCCCCCCCCCCCCCP(O)c1ccccc1
InChIInChI=1S/C22H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3
InChIKeyOVVWAABHYIOKGA-UHFFFAOYSA-N
MW350.53 g/mol
LogP7.18
Rot. Bonds16

About hexadecyl(phenyl)phosphinous acid

hexadecyl(phenyl)phosphinous acid (PubChem CID 22292084) has the molecular formula C22H39OP and a molecular weight of 350.53 g/mol. Its IUPAC name is hexadecyl(phenyl)phosphinous acid.

Molecular Properties

Compound Namehexadecyl(phenyl)phosphinous acid
PubChem CID22292084
Molecular FormulaC22H39OP
Molecular Weight350.53 g/mol
Exact Mass350.27
IUPAC Namehexadecyl(phenyl)phosphinous acid
SMILESCCCCCCCCCCCCCCCCP(O)c1ccccc1
InChIInChI=1S/C22H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3
InChIKeyOVVWAABHYIOKGA-UHFFFAOYSA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 57.18
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

dipentyl(phenyl)phosphane
CID 3085487
dodecane;phenol
CID 157210063
heptoxy(phenyl)phosphinous acid
CID 12959801
benzene;phosphorous acid;propane;tetrakis(tridecane)
CID 173124098
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
decane;sulfane;toluene
CID 157105742
butyl-methyl-phenylphosphane
CID 14832966
ethoxy-hexoxy-phenylphosphane
CID 154163043
phenol;trihexyl(tetradecyl)phosphanium
CID 139300494
1,1'-biphenyl;hexadecane
CID 173308514
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
pentylbenzene;phosphorous acid
CID 174842783

Frequently Asked Questions

What is the IUPAC name of hexadecyl(phenyl)phosphinous acid?
The IUPAC name of hexadecyl(phenyl)phosphinous acid (CID 22292084) is hexadecyl(phenyl)phosphinous acid.
What is the SMILES notation for hexadecyl(phenyl)phosphinous acid?
The canonical SMILES for hexadecyl(phenyl)phosphinous acid is CCCCCCCCCCCCCCCCP(O)c1ccccc1.
What is the InChIKey of hexadecyl(phenyl)phosphinous acid?
The InChIKey is OVVWAABHYIOKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3.
What are the key properties of hexadecyl(phenyl)phosphinous acid?
hexadecyl(phenyl)phosphinous acid has a molecular weight of 350.53 g/mol, XLogP of 7.18, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(phenyl)phosphinous acid is sourced from PubChem (CID 22292084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).