3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide

C10H7O4P — CID 101045356

IUPAC3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
SMILESO=P1(O)Oc2cccc3cccc(c23)O1
InChIInChI=1S/C10H7O4P/c11-15(12)13-8-5-1-3-7-4-2-6-9(14-15)10(7)8/h1-6H,(H,11,12)
InChIKeyCAKHWAWQJCEUFS-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.71
Rot. Bonds

About 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide

3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide (PubChem CID 101045356) has the molecular formula C10H7O4P and a molecular weight of 222.14 g/mol. Its IUPAC name is 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide.

Molecular Properties

Compound Name3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
PubChem CID101045356
Molecular FormulaC10H7O4P
Molecular Weight222.14 g/mol
Exact Mass222.01
IUPAC Name3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
SMILESO=P1(O)Oc2cccc3cccc(c23)O1
InChIInChI=1S/C10H7O4P/c11-15(12)13-8-5-1-3-7-4-2-6-9(14-15)10(7)8/h1-6H,(H,11,12)
InChIKeyCAKHWAWQJCEUFS-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide 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

Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide,(11bS)-
CID 134129656
11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide
CID 132559124
3-iodo-2,4-dioxa-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 147759134
ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
CID 151175243
3-tert-butyl-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 137456680
13-hydroxy-10,16-bis(4-phenylnaphthalen-2-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 135081905
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene-3-carboxylic acid
CID 14091958
3,3,3-tris(2,6-dimethylphenoxy)-2,4-dioxa-3lambda5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 14787685
pyrene;zirconium
CID 175873743
pyrene;dihydrobromide
CID 172822251
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The IUPAC name of 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide (CID 101045356) is 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide.
What is the SMILES notation for 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The canonical SMILES for 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide is O=P1(O)Oc2cccc3cccc(c23)O1.
What is the InChIKey of 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
The InChIKey is CAKHWAWQJCEUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7O4P/c11-15(12)13-8-5-1-3-7-4-2-6-9(14-15)10(7)8/h1-6H,(H,11,12).
What are the key properties of 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide?
3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide has a molecular weight of 222.14 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dioxa-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide is sourced from PubChem (CID 101045356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).