methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate

C22H39O7P — CID 174399603

IUPACmethyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)O.COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H31O4P.C8H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-11-8(10)6-2-4-7(9)5-3-6/h2-14H2,1H3,(H2,15,16,17);2-5,9H,1H3
InChIKeyTUDPYKDNGXVUJH-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.98
Rot. Bonds15

About methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate

methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate (PubChem CID 174399603) has the molecular formula C22H39O7P and a molecular weight of 446.52 g/mol. Its IUPAC name is methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate.

Molecular Properties

Compound Namemethyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate
PubChem CID174399603
Molecular FormulaC22H39O7P
Molecular Weight446.52 g/mol
Exact Mass446.24
IUPAC Namemethyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(O)O.COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H31O4P.C8H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-11-8(10)6-2-4-7(9)5-3-6/h2-14H2,1H3,(H2,15,16,17);2-5,9H,1H3
InChIKeyTUDPYKDNGXVUJH-UHFFFAOYSA-N
XLogP5.98
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
butane;docosyl 4-hydroxybenzoate
CID 175271638
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
2-hydroxyethyl dihydrogen phosphate;propyl 4-hydroxybenzoate
CID 175442784
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate?
The IUPAC name of methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate (CID 174399603) is methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate.
What is the SMILES notation for methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate?
The canonical SMILES for methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate is CCCCCCCCCCCCCCOP(=O)(O)O.COC(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate?
The InChIKey is TUDPYKDNGXVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O4P.C8H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-11-8(10)6-2-4-7(9)5-3-6/h2-14H2,1H3,(H2,15,16,17);2-5,9H,1H3.
What are the key properties of methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate?
methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate has a molecular weight of 446.52 g/mol, XLogP of 5.98, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybenzoate;tetradecyl dihydrogen phosphate is sourced from PubChem (CID 174399603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).