[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol

C10H16ClO3P — CID 134993326

IUPAC[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol
SMILESOCP(Cl)(CO)(CO)Cc1ccccc1
InChIInChI=1S/C10H16ClO3P/c11-15(7-12,8-13,9-14)6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2
InChIKeyZMLYBSCOSVLOSI-UHFFFAOYSA-N
MW250.66 g/mol
LogP1.74
Rot. Bonds5

About [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol

[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol (PubChem CID 134993326) has the molecular formula C10H16ClO3P and a molecular weight of 250.66 g/mol. Its IUPAC name is [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol.

Molecular Properties

Compound Name[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol
PubChem CID134993326
Molecular FormulaC10H16ClO3P
Molecular Weight250.66 g/mol
Exact Mass250.05
IUPAC Name[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol
SMILESOCP(Cl)(CO)(CO)Cc1ccccc1
InChIInChI=1S/C10H16ClO3P/c11-15(7-12,8-13,9-14)6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2
InChIKeyZMLYBSCOSVLOSI-UHFFFAOYSA-N
XLogP1.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 51.74
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 [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol?
The IUPAC name of [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol (CID 134993326) is [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol.
What is the SMILES notation for [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol?
The canonical SMILES for [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol is OCP(Cl)(CO)(CO)Cc1ccccc1.
What is the InChIKey of [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol?
The InChIKey is ZMLYBSCOSVLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClO3P/c11-15(7-12,8-13,9-14)6-10-4-2-1-3-5-10/h1-5,12-14H,6-9H2.
What are the key properties of [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol?
[benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol has a molecular weight of 250.66 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl-chloro-bis(hydroxymethyl)-λ5-phosphanyl]methanol is sourced from PubChem (CID 134993326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).