5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide

C13H9O4P — CID 141057235

IUPAC5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
SMILESCc1cc2c3c(c1-c1ccccc1)OP(=O)(O2)O3
InChIInChI=1S/C13H9O4P/c1-8-7-10-12-13(17-18(14,15-10)16-12)11(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyTZSSCEKQXZWBOD-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.93
Rot. Bonds1

About 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide

5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide (PubChem CID 141057235) has the molecular formula C13H9O4P and a molecular weight of 260.19 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide.

Molecular Properties

Compound Name5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
PubChem CID141057235
Molecular FormulaC13H9O4P
Molecular Weight260.19 g/mol
Exact Mass260.02
IUPAC Name5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
SMILESCc1cc2c3c(c1-c1ccccc1)OP(=O)(O2)O3
InChIInChI=1S/C13H9O4P/c1-8-7-10-12-13(17-18(14,15-10)16-12)11(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyTZSSCEKQXZWBOD-UHFFFAOYSA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
6-methyl-7-phenylcyclopenta[b]pyran
CID 91228870
4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
5-methyl-4-phenylbenzene-1,2,3-triol
CID 101299656
4-[[2,4-bis(2,4,6-trimethylphenyl)phenyl]methyl]-28,30-dimethyl-24-(2,4,6-trimethylphenyl)-2,33,34-trioxa-1λ5-phosphaoctacyclo[19.12.2.122,26.03,12.06,11.013,35.014,19.027,32]hexatriaconta-3,5,11,13,19,21(35),22,24,26(36),27,29,31-dodecaene 1-oxide
CID 155009180
3,9-bis[(2,4,6-trimethyl-3-phenylphenyl)methyl]-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 139969616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide?
The IUPAC name of 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide (CID 141057235) is 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide.
What is the SMILES notation for 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide?
The canonical SMILES for 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide is Cc1cc2c3c(c1-c1ccccc1)OP(=O)(O2)O3.
What is the InChIKey of 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide?
The InChIKey is TZSSCEKQXZWBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9O4P/c1-8-7-10-12-13(17-18(14,15-10)16-12)11(8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide?
5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide has a molecular weight of 260.19 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide is sourced from PubChem (CID 141057235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).