(4-undecanoylphenyl) dihydrogen phosphite

C17H27O4P — CID 174776002

IUPAC(4-undecanoylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCCC(=O)c1ccc(OP(O)O)cc1
InChIInChI=1S/C17H27O4P/c1-2-3-4-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)21-22(19)20/h11-14,19-20H,2-10H2,1H3
InChIKeyAFVKUMGLLMHKCY-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.99
Rot. Bonds12

About (4-undecanoylphenyl) dihydrogen phosphite

(4-undecanoylphenyl) dihydrogen phosphite (PubChem CID 174776002) has the molecular formula C17H27O4P and a molecular weight of 326.37 g/mol. Its IUPAC name is (4-undecanoylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(4-undecanoylphenyl) dihydrogen phosphite
PubChem CID174776002
Molecular FormulaC17H27O4P
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name(4-undecanoylphenyl) dihydrogen phosphite
SMILESCCCCCCCCCCC(=O)c1ccc(OP(O)O)cc1
InChIInChI=1S/C17H27O4P/c1-2-3-4-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)21-22(19)20/h11-14,19-20H,2-10H2,1H3
InChIKeyAFVKUMGLLMHKCY-UHFFFAOYSA-N
XLogP4.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
(4-nonanoylphenyl) dihydrogen phosphate
CID 171472641
2-(4-nonanoylphenoxy)acetic acid
CID 139757126
2-(4-decanoylphenoxy)acetic acid
CID 606645
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737

Frequently Asked Questions

What is the IUPAC name of (4-undecanoylphenyl) dihydrogen phosphite?
The IUPAC name of (4-undecanoylphenyl) dihydrogen phosphite (CID 174776002) is (4-undecanoylphenyl) dihydrogen phosphite.
What is the SMILES notation for (4-undecanoylphenyl) dihydrogen phosphite?
The canonical SMILES for (4-undecanoylphenyl) dihydrogen phosphite is CCCCCCCCCCC(=O)c1ccc(OP(O)O)cc1.
What is the InChIKey of (4-undecanoylphenyl) dihydrogen phosphite?
The InChIKey is AFVKUMGLLMHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O4P/c1-2-3-4-5-6-7-8-9-10-17(18)15-11-13-16(14-12-15)21-22(19)20/h11-14,19-20H,2-10H2,1H3.
What are the key properties of (4-undecanoylphenyl) dihydrogen phosphite?
(4-undecanoylphenyl) dihydrogen phosphite has a molecular weight of 326.37 g/mol, XLogP of 4.99, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-undecanoylphenyl) dihydrogen phosphite is sourced from PubChem (CID 174776002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).