[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate

C8H11O5P — CID 141313491

IUPAC[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
SMILESCC(O)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C8H11O5P/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-6,9H,1H3,(H2,10,11,12)
InChIKeyWXSPGVNRMQDIER-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.21
Rot. Bonds3

About [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate

[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate (PubChem CID 141313491) has the molecular formula C8H11O5P and a molecular weight of 218.15 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
PubChem CID141313491
Molecular FormulaC8H11O5P
Molecular Weight218.15 g/mol
Exact Mass218.03
IUPAC Name[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
SMILESCC(O)c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C8H11O5P/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-6,9H,1H3,(H2,10,11,12)
InChIKeyWXSPGVNRMQDIER-UHFFFAOYSA-N
XLogP1.21
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(1-hydroxyethyl)phenyl] 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

sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
CID 174297750
CID 172652800
CID 172652800
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
[4-(3-amino-2-methyl-3-oxopropyl)phenyl] dihydrogen phosphate
CID 58672481
CID 175713586
CID 175713586
magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
CID 173440052
[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl] dihydrogen phosphate
CID 176799738
1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
CID 59810700
CID 131875092
CID 131875092
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
[4-[(Z)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
CID 3034369

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate (CID 141313491) is [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate is CC(O)c1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate?
The InChIKey is WXSPGVNRMQDIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O5P/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-6,9H,1H3,(H2,10,11,12).
What are the key properties of [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate?
[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate has a molecular weight of 218.15 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 141313491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).