[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite

C8H12O6P2 — CID 91459282

IUPAC[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite
SMILESOP(O)OCc1cccc(COP(O)O)c1
InChIInChI=1S/C8H12O6P2/c9-15(10)13-5-7-2-1-3-8(4-7)6-14-16(11)12/h1-4,9-12H,5-6H2
InChIKeyPKMFOPRLIFGGNI-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.14
Rot. Bonds6

About [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite

[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite (PubChem CID 91459282) has the molecular formula C8H12O6P2 and a molecular weight of 266.13 g/mol. Its IUPAC name is [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite.

Molecular Properties

Compound Name[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite
PubChem CID91459282
Molecular FormulaC8H12O6P2
Molecular Weight266.13 g/mol
Exact Mass266.01
IUPAC Name[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite
SMILESOP(O)OCc1cccc(COP(O)O)c1
InChIInChI=1S/C8H12O6P2/c9-15(10)13-5-7-2-1-3-8(4-7)6-14-16(11)12/h1-4,9-12H,5-6H2
InChIKeyPKMFOPRLIFGGNI-UHFFFAOYSA-N
XLogP1.14
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenylmethoxyphosphonamidous acid
CID 91418701
3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
CID 101245603
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
[3-(hydroxymethyl)phenyl]methyl hydrogen carbonate
CID 118200073
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
CID 57453999
CID 57453999
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-(dihydroxyphosphanyloxymethyl)benzoic acid
CID 145267379

Frequently Asked Questions

What is the IUPAC name of [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite?
The IUPAC name of [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite (CID 91459282) is [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite.
What is the SMILES notation for [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite?
The canonical SMILES for [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite is OP(O)OCc1cccc(COP(O)O)c1.
What is the InChIKey of [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite?
The InChIKey is PKMFOPRLIFGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6P2/c9-15(10)13-5-7-2-1-3-8(4-7)6-14-16(11)12/h1-4,9-12H,5-6H2.
What are the key properties of [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite?
[3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite has a molecular weight of 266.13 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dihydroxyphosphanyloxymethyl)phenyl]methyl dihydrogen phosphite is sourced from PubChem (CID 91459282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).