(4-dodecoxyphenoxy)-methylphosphinic acid

C19H33O4P — CID 139804509

IUPAC(4-dodecoxyphenoxy)-methylphosphinic acid
SMILESCCCCCCCCCCCCOc1ccc(OP(C)(=O)O)cc1
InChIInChI=1S/C19H33O4P/c1-3-4-5-6-7-8-9-10-11-12-17-22-18-13-15-19(16-14-18)23-24(2,20)21/h13-16H,3-12,17H2,1-2H3,(H,20,21)
InChIKeyLEXIEJMDKGPIMP-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.18
Rot. Bonds14

About (4-dodecoxyphenoxy)-methylphosphinic acid

(4-dodecoxyphenoxy)-methylphosphinic acid (PubChem CID 139804509) has the molecular formula C19H33O4P and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-dodecoxyphenoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(4-dodecoxyphenoxy)-methylphosphinic acid
PubChem CID139804509
Molecular FormulaC19H33O4P
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name(4-dodecoxyphenoxy)-methylphosphinic acid
SMILESCCCCCCCCCCCCOc1ccc(OP(C)(=O)O)cc1
InChIInChI=1S/C19H33O4P/c1-3-4-5-6-7-8-9-10-11-12-17-22-18-13-15-19(16-14-18)23-24(2,20)21/h13-16H,3-12,17H2,1-2H3,(H,20,21)
InChIKeyLEXIEJMDKGPIMP-UHFFFAOYSA-N
XLogP6.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
methyl-(2-octadecoxyphenoxy)phosphinic acid
CID 139804510
1-[amino(phenoxy)phosphoryl]oxy-4-hexoxybenzene
CID 67856737
4-octadecoxyphenol
CID 22179059
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
(4-octoxyphenyl) methanesulfonate
CID 174582509
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579

Frequently Asked Questions

What is the IUPAC name of (4-dodecoxyphenoxy)-methylphosphinic acid?
The IUPAC name of (4-dodecoxyphenoxy)-methylphosphinic acid (CID 139804509) is (4-dodecoxyphenoxy)-methylphosphinic acid.
What is the SMILES notation for (4-dodecoxyphenoxy)-methylphosphinic acid?
The canonical SMILES for (4-dodecoxyphenoxy)-methylphosphinic acid is CCCCCCCCCCCCOc1ccc(OP(C)(=O)O)cc1.
What is the InChIKey of (4-dodecoxyphenoxy)-methylphosphinic acid?
The InChIKey is LEXIEJMDKGPIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P/c1-3-4-5-6-7-8-9-10-11-12-17-22-18-13-15-19(16-14-18)23-24(2,20)21/h13-16H,3-12,17H2,1-2H3,(H,20,21).
What are the key properties of (4-dodecoxyphenoxy)-methylphosphinic acid?
(4-dodecoxyphenoxy)-methylphosphinic acid has a molecular weight of 356.44 g/mol, XLogP of 6.18, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecoxyphenoxy)-methylphosphinic acid is sourced from PubChem (CID 139804509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).