3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid

C19H15O3P — CID 22501119

IUPAC3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid
SMILESO=P(O)(O)c1cccc2c1=c1ccccc1=CC1=CC=CCC=21
InChIInChI=1S/C19H15O3P/c20-23(21,22)18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)19(17)18/h1-7,9-12H,8H2,(H2,20,21,22)
InChIKeyFTJCBKVLVQQMKO-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.61
Rot. Bonds1

About 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid

3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid (PubChem CID 22501119) has the molecular formula C19H15O3P and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid.

Molecular Properties

Compound Name3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid
PubChem CID22501119
Molecular FormulaC19H15O3P
Molecular Weight322.30 g/mol
Exact Mass322.08
IUPAC Name3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid
SMILESO=P(O)(O)c1cccc2c1=c1ccccc1=CC1=CC=CCC=21
InChIInChI=1S/C19H15O3P/c20-23(21,22)18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)19(17)18/h1-7,9-12H,8H2,(H2,20,21,22)
InChIKeyFTJCBKVLVQQMKO-UHFFFAOYSA-N
XLogP1.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid?
The IUPAC name of 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid (CID 22501119) is 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid.
What is the SMILES notation for 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid?
The canonical SMILES for 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid is O=P(O)(O)c1cccc2c1=c1ccccc1=CC1=CC=CCC=21.
What is the InChIKey of 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid?
The InChIKey is FTJCBKVLVQQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O3P/c20-23(21,22)18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)19(17)18/h1-7,9-12H,8H2,(H2,20,21,22).
What are the key properties of 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid?
3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid has a molecular weight of 322.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetracyclo[13.4.0.02,7.08,13]nonadeca-1,3,5,7,10,12,14,16,18-nonaenylphosphonic acid is sourced from PubChem (CID 22501119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).