1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol

C12H7O5P — CID 142700764

IUPAC1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol
SMILESO=P12Oc3cc(O)c(c(c3-c3ccccc3)O1)O2
InChIInChI=1S/C12H7O5P/c13-8-6-9-10(7-4-2-1-3-5-7)12-11(8)16-18(14,15-9)17-12/h1-6,13H
InChIKeyHCEQBWRYXRPBEE-UHFFFAOYSA-N
MW262.16 g/mol
LogP3.33
Rot. Bonds1

About 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol

1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol (PubChem CID 142700764) has the molecular formula C12H7O5P and a molecular weight of 262.16 g/mol. Its IUPAC name is 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol.

Molecular Properties

Compound Name1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol
PubChem CID142700764
Molecular FormulaC12H7O5P
Molecular Weight262.16 g/mol
Exact Mass262.00
IUPAC Name1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol
SMILESO=P12Oc3cc(O)c(c(c3-c3ccccc3)O1)O2
InChIInChI=1S/C12H7O5P/c13-8-6-9-10(7-4-2-1-3-5-7)12-11(8)16-18(14,15-9)17-12/h1-6,13H
InChIKeyHCEQBWRYXRPBEE-UHFFFAOYSA-N
XLogP3.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
CID 141057235
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
3,5-dihydroxy-4-phenylbenzaldehyde
CID 178159444
2,3-diphenyl-4-sulfanylphenol
CID 87968184
6-hydroxy-4,8-diphenylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 25138423
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
5,6,9,10,17,18,21,22,29,30,33,34-dodecakis-phenyl-3,12,15,24,27,36-hexazatridecacyclo[24.10.0.02,13.03,7.04,35.08,12.011,16.014,25.015,19.020,24.023,28.027,31.032,36]hexatriaconta-1,4(35),5,7,9,11(16),13,17,19,21,23(28),25,29,31,33-pentadecaene
CID 102595866
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
5-hydroxy-3,7-diphenyl-4,6-dihydro-1,2,5lambda5-diazaphosphepine 5-oxide
CID 1392346

Frequently Asked Questions

What is the IUPAC name of 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol?
The IUPAC name of 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol (CID 142700764) is 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol.
What is the SMILES notation for 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol?
The canonical SMILES for 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol is O=P12Oc3cc(O)c(c(c3-c3ccccc3)O1)O2.
What is the InChIKey of 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol?
The InChIKey is HCEQBWRYXRPBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7O5P/c13-8-6-9-10(7-4-2-1-3-5-7)12-11(8)16-18(14,15-9)17-12/h1-6,13H.
What are the key properties of 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol?
1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol has a molecular weight of 262.16 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-7-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[4.3.1.03,8]deca-3(8),4,6-trien-4-ol is sourced from PubChem (CID 142700764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).