4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C11H13OP — CID 154973128

IUPAC4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESO=Pc1cccc2c1CCCCC2
InChIInChI=1S/C11H13OP/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h4,6,8H,1-3,5,7H2
InChIKeyDNJXHUTYRIPAHU-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.87
Rot. Bonds1

About 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene

4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 154973128) has the molecular formula C11H13OP and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID154973128
Molecular FormulaC11H13OP
Molecular Weight192.20 g/mol
Exact Mass192.07
IUPAC Name4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESO=Pc1cccc2c1CCCCC2
InChIInChI=1S/C11H13OP/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h4,6,8H,1-3,5,7H2
InChIKeyDNJXHUTYRIPAHU-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 154973128) is 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene is O=Pc1cccc2c1CCCCC2.
What is the InChIKey of 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is DNJXHUTYRIPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OP/c12-13-11-8-4-6-9-5-2-1-3-7-10(9)11/h4,6,8H,1-3,5,7H2.
What are the key properties of 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 192.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphoroso-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 154973128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).