(4-tridecylphenyl) dihydrogen phosphate

C19H33O4P — CID 151425347

IUPAC(4-tridecylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCc1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C19H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23-24(20,21)22/h14-17H,2-13H2,1H3,(H2,20,21,22)
InChIKeyPBKAPXXFCXBSSQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.01
Rot. Bonds14

About (4-tridecylphenyl) dihydrogen phosphate

(4-tridecylphenyl) dihydrogen phosphate (PubChem CID 151425347) has the molecular formula C19H33O4P and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-tridecylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-tridecylphenyl) dihydrogen phosphate
PubChem CID151425347
Molecular FormulaC19H33O4P
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name(4-tridecylphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCc1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C19H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23-24(20,21)22/h14-17H,2-13H2,1H3,(H2,20,21,22)
InChIKeyPBKAPXXFCXBSSQ-UHFFFAOYSA-N
XLogP6.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tris(4-hexadecylphenyl) phosphate
CID 139663142
(4-dodecylphenyl) methyl hydrogen phosphate
CID 57162479
[4-(6-oxohenicosyl)phenyl] sulfanyl hydrogen phosphate
CID 171819425
[(4-butylphenoxy)-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87759641
(4-pentadecylphenyl)phosphonic acid
CID 68995736
tris(4-nonylphenol);phosphoric acid
CID 71361187
bis(4-nonylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CID 13326367
(4-nonanoylphenyl) dihydrogen phosphate
CID 171472641
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
tris[4-[1,1-bis(4-pentadecylphenyl)decyl]phenyl] phosphate
CID 139757740
tris[4-[1,1-bis(4-nonylphenyl)dodecyl]phenyl] phosphate
CID 139757744
hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum
CID 174164859

Frequently Asked Questions

What is the IUPAC name of (4-tridecylphenyl) dihydrogen phosphate?
The IUPAC name of (4-tridecylphenyl) dihydrogen phosphate (CID 151425347) is (4-tridecylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-tridecylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-tridecylphenyl) dihydrogen phosphate is CCCCCCCCCCCCCc1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of (4-tridecylphenyl) dihydrogen phosphate?
The InChIKey is PBKAPXXFCXBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23-24(20,21)22/h14-17H,2-13H2,1H3,(H2,20,21,22).
What are the key properties of (4-tridecylphenyl) dihydrogen phosphate?
(4-tridecylphenyl) dihydrogen phosphate has a molecular weight of 356.44 g/mol, XLogP of 6.01, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tridecylphenyl) dihydrogen phosphate is sourced from PubChem (CID 151425347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).