[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol

C16H24O4P2 — CID 87721194

IUPAC[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol
SMILESOC(O)C1CCCP1c1ccccc1P1CCCC1C(O)O
InChIInChI=1S/C16H24O4P2/c17-15(18)13-7-3-9-21(13)11-5-1-2-6-12(11)22-10-4-8-14(22)16(19)20/h1-2,5-6,13-20H,3-4,7-10H2
InChIKeyMTOBPTNEOUWLOW-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.85
Rot. Bonds4

About [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol

[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol (PubChem CID 87721194) has the molecular formula C16H24O4P2 and a molecular weight of 342.31 g/mol. Its IUPAC name is [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol.

Molecular Properties

Compound Name[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol
PubChem CID87721194
Molecular FormulaC16H24O4P2
Molecular Weight342.31 g/mol
Exact Mass342.11
IUPAC Name[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol
SMILESOC(O)C1CCCP1c1ccccc1P1CCCC1C(O)O
InChIInChI=1S/C16H24O4P2/c17-15(18)13-7-3-9-21(13)11-5-1-2-6-12(11)22-10-4-8-14(22)16(19)20/h1-2,5-6,13-20H,3-4,7-10H2
InChIKeyMTOBPTNEOUWLOW-UHFFFAOYSA-N
XLogP0.85
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol?
The IUPAC name of [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol (CID 87721194) is [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol.
What is the SMILES notation for [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol?
The canonical SMILES for [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol is OC(O)C1CCCP1c1ccccc1P1CCCC1C(O)O.
What is the InChIKey of [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol?
The InChIKey is MTOBPTNEOUWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4P2/c17-15(18)13-7-3-9-21(13)11-5-1-2-6-12(11)22-10-4-8-14(22)16(19)20/h1-2,5-6,13-20H,3-4,7-10H2.
What are the key properties of [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol?
[1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol has a molecular weight of 342.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(dihydroxymethyl)phospholan-1-yl]phenyl]phospholan-2-yl]methanediol is sourced from PubChem (CID 87721194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).