[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate

C8H11O6P — CID 23585992

IUPAC[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
SMILESCOc1cccc(CO)c1OP(=O)(O)O
InChIInChI=1S/C8H11O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12)
InChIKeyBABHVWSSGFHYSO-UHFFFAOYSA-N
MW234.14 g/mol
LogP0.66
Rot. Bonds4

About [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate

[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate (PubChem CID 23585992) has the molecular formula C8H11O6P and a molecular weight of 234.14 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
PubChem CID23585992
Molecular FormulaC8H11O6P
Molecular Weight234.14 g/mol
Exact Mass234.03
IUPAC Name[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
SMILESCOc1cccc(CO)c1OP(=O)(O)O
InChIInChI=1S/C8H11O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12)
InChIKeyBABHVWSSGFHYSO-UHFFFAOYSA-N
XLogP0.66
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(hydroxymethyl)-6-methoxyphenyl] 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

2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
3-[2-(hydroxymethyl)-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79623918
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
CID 114494393
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64567950

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate?
The IUPAC name of [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate (CID 23585992) is [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate.
What is the SMILES notation for [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate?
The canonical SMILES for [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate is COc1cccc(CO)c1OP(=O)(O)O.
What is the InChIKey of [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate?
The InChIKey is BABHVWSSGFHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12).
What are the key properties of [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate?
[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate has a molecular weight of 234.14 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 23585992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).