(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate

C14H23O8P — CID 122506436

IUPAC(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
SMILESCCOc1cc(OP(=O)(O)O)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C14H23O8P/c1-5-18-10-9-11(22-23(15,16)17)13(20-7-3)14(21-8-4)12(10)19-6-2/h9H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyLPBDVOVYYPVYHH-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.75
Rot. Bonds10

About (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate

(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate (PubChem CID 122506436) has the molecular formula C14H23O8P and a molecular weight of 350.30 g/mol. Its IUPAC name is (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
PubChem CID122506436
Molecular FormulaC14H23O8P
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
SMILESCCOc1cc(OP(=O)(O)O)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C14H23O8P/c1-5-18-10-9-11(22-23(15,16)17)13(20-7-3)14(21-8-4)12(10)19-6-2/h9H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyLPBDVOVYYPVYHH-UHFFFAOYSA-N
XLogP2.75
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triethoxyphenol
CID 19754898
CID 151326583
CID 151326583
[3-ethoxy-2-(1,2,2-triphenylethenyl)phenyl] dihydrogen phosphate
CID 140993891
3,4,5-triethoxybenzoyl isocyanate
CID 103513036
3-methyl-1-(3,4,5-triethoxyphenyl)but-3-en-1-one
CID 115780575
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
3,4,5-triethoxybenzenecarbothioamide
CID 82346489
3,4,5-triethoxy-2-prop-2-enylphenol
CID 88626302
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
1,2,3,4,5-pentapropoxybenzene
CID 91365553
3-chloro-4,5-diethoxybenzoate
CID 7326781

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate (CID 122506436) is (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate is CCOc1cc(OP(=O)(O)O)c(OCC)c(OCC)c1OCC.
What is the InChIKey of (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate?
The InChIKey is LPBDVOVYYPVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O8P/c1-5-18-10-9-11(22-23(15,16)17)13(20-7-3)14(21-8-4)12(10)19-6-2/h9H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate?
(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate has a molecular weight of 350.30 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 122506436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).