6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C15H11O2P — CID 174185485

IUPAC6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC#CCP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H11O2P/c1-2-11-18(16)15-10-6-4-8-13(15)12-7-3-5-9-14(12)17-18/h1,3-10H,11H2
InChIKeyHANPRZCVLUKAEW-UHFFFAOYSA-N
MW254.23 g/mol
LogP3.28
Rot. Bonds1

About 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide

6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 174185485) has the molecular formula C15H11O2P and a molecular weight of 254.23 g/mol. Its IUPAC name is 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID174185485
Molecular FormulaC15H11O2P
Molecular Weight254.23 g/mol
Exact Mass254.05
IUPAC Name6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC#CCP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H11O2P/c1-2-11-18(16)15-10-6-4-8-13(15)12-7-3-5-9-14(12)17-18/h1,3-10H,11H2
InChIKeyHANPRZCVLUKAEW-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 174185485) is 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide is C#CCP1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is HANPRZCVLUKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O2P/c1-2-11-18(16)15-10-6-4-8-13(15)12-7-3-5-9-14(12)17-18/h1,3-10H,11H2.
What are the key properties of 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 254.23 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 174185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).