(4-nonanoylphenyl) dihydrogen phosphate

C15H23O5P — CID 171472641

IUPAC(4-nonanoylphenyl) dihydrogen phosphate
SMILESCCCCCCCCC(=O)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C15H23O5P/c1-2-3-4-5-6-7-8-15(16)13-9-11-14(12-10-13)20-21(17,18)19/h9-12H,2-8H2,1H3,(H2,17,18,19)
InChIKeyDMBHSYBINLNGSO-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.09
Rot. Bonds10

About (4-nonanoylphenyl) dihydrogen phosphate

(4-nonanoylphenyl) dihydrogen phosphate (PubChem CID 171472641) has the molecular formula C15H23O5P and a molecular weight of 314.32 g/mol. Its IUPAC name is (4-nonanoylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-nonanoylphenyl) dihydrogen phosphate
PubChem CID171472641
Molecular FormulaC15H23O5P
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name(4-nonanoylphenyl) dihydrogen phosphate
SMILESCCCCCCCCC(=O)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C15H23O5P/c1-2-3-4-5-6-7-8-15(16)13-9-11-14(12-10-13)20-21(17,18)19/h9-12H,2-8H2,1H3,(H2,17,18,19)
InChIKeyDMBHSYBINLNGSO-UHFFFAOYSA-N
XLogP4.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
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-(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
(4-undecanoylphenyl) dihydrogen phosphite
CID 174776002
(4-tridecylphenyl) dihydrogen phosphate
CID 151425347
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
2-(4-nonanoylphenoxy)acetic acid
CID 139757126
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
2-(4-decanoylphenoxy)acetic acid
CID 606645

Frequently Asked Questions

What is the IUPAC name of (4-nonanoylphenyl) dihydrogen phosphate?
The IUPAC name of (4-nonanoylphenyl) dihydrogen phosphate (CID 171472641) is (4-nonanoylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-nonanoylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-nonanoylphenyl) dihydrogen phosphate is CCCCCCCCC(=O)c1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of (4-nonanoylphenyl) dihydrogen phosphate?
The InChIKey is DMBHSYBINLNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O5P/c1-2-3-4-5-6-7-8-15(16)13-9-11-14(12-10-13)20-21(17,18)19/h9-12H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of (4-nonanoylphenyl) dihydrogen phosphate?
(4-nonanoylphenyl) dihydrogen phosphate has a molecular weight of 314.32 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonanoylphenyl) dihydrogen phosphate is sourced from PubChem (CID 171472641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).