(2-tetradecoxyphenyl) dihydrogen phosphate

C20H35O5P — CID 23178967

IUPAC(2-tetradecoxyphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOc1ccccc1OP(=O)(O)O
InChIInChI=1S/C20H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-19-16-13-14-17-20(19)25-26(21,22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H2,21,22,23)
InChIKeyFBZKECOYSXOWRQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP6.24
Rot. Bonds16

About (2-tetradecoxyphenyl) dihydrogen phosphate

(2-tetradecoxyphenyl) dihydrogen phosphate (PubChem CID 23178967) has the molecular formula C20H35O5P and a molecular weight of 386.47 g/mol. Its IUPAC name is (2-tetradecoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-tetradecoxyphenyl) dihydrogen phosphate
PubChem CID23178967
Molecular FormulaC20H35O5P
Molecular Weight386.47 g/mol
Exact Mass386.22
IUPAC Name(2-tetradecoxyphenyl) dihydrogen phosphate
SMILESCCCCCCCCCCCCCCOc1ccccc1OP(=O)(O)O
InChIInChI=1S/C20H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-19-16-13-14-17-20(19)25-26(21,22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H2,21,22,23)
InChIKeyFBZKECOYSXOWRQ-UHFFFAOYSA-N
XLogP6.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 56.24
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

methyl-(2-octadecoxyphenoxy)phosphinic acid
CID 139804510
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
[2-[(4-octoxybenzoyl)amino]phenyl] dihydrogen phosphate
CID 155429698
2-tridecoxyphenol
CID 67178320
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-ethyl-2-heptoxybenzene
CID 22723794
[2-(2-pentylnonyl)phenyl] dihydrogen phosphate
CID 150964075
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593

Frequently Asked Questions

What is the IUPAC name of (2-tetradecoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2-tetradecoxyphenyl) dihydrogen phosphate (CID 23178967) is (2-tetradecoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-tetradecoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2-tetradecoxyphenyl) dihydrogen phosphate is CCCCCCCCCCCCCCOc1ccccc1OP(=O)(O)O.
What is the InChIKey of (2-tetradecoxyphenyl) dihydrogen phosphate?
The InChIKey is FBZKECOYSXOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-19-16-13-14-17-20(19)25-26(21,22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H2,21,22,23).
What are the key properties of (2-tetradecoxyphenyl) dihydrogen phosphate?
(2-tetradecoxyphenyl) dihydrogen phosphate has a molecular weight of 386.47 g/mol, XLogP of 6.24, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tetradecoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 23178967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).