1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid

C3H10O3P2 — CID 142312634

IUPAC1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid
SMILESCC(P(C)O)P(O)O
InChIInChI=1S/C3H10O3P2/c1-3(7(2)4)8(5)6/h3-6H,1-2H3
InChIKeySIMPPSSARAXBNS-UHFFFAOYSA-N
MW156.06 g/mol
LogP0.65
Rot. Bonds2

About 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid

1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid (PubChem CID 142312634) has the molecular formula C3H10O3P2 and a molecular weight of 156.06 g/mol. Its IUPAC name is 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid.

Molecular Properties

Compound Name1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid
PubChem CID142312634
Molecular FormulaC3H10O3P2
Molecular Weight156.06 g/mol
Exact Mass156.01
IUPAC Name1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid
SMILESCC(P(C)O)P(O)O
InChIInChI=1S/C3H10O3P2/c1-3(7(2)4)8(5)6/h3-6H,1-2H3
InChIKeySIMPPSSARAXBNS-UHFFFAOYSA-N
XLogP0.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid?
The IUPAC name of 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid (CID 142312634) is 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid.
What is the SMILES notation for 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid?
The canonical SMILES for 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid is CC(P(C)O)P(O)O.
What is the InChIKey of 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid?
The InChIKey is SIMPPSSARAXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3P2/c1-3(7(2)4)8(5)6/h3-6H,1-2H3.
What are the key properties of 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid?
1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid has a molecular weight of 156.06 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid is sourced from PubChem (CID 142312634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).