2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione

C18H17O2P — CID 90900805

IUPAC2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione
SMILESCPc1cc2c(cc1C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H17O2P/c1-10(2)13-8-14-15(9-16(13)21-3)18(20)12-7-5-4-6-11(12)17(14)19/h4-10,21H,1-3H3
InChIKeyUVQVRNXYBPPXDZ-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.52
Rot. Bonds2

About 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione

2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione (PubChem CID 90900805) has the molecular formula C18H17O2P and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione.

Molecular Properties

Compound Name2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione
PubChem CID90900805
Molecular FormulaC18H17O2P
Molecular Weight296.31 g/mol
Exact Mass296.10
IUPAC Name2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione
SMILESCPc1cc2c(cc1C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H17O2P/c1-10(2)13-8-14-15(9-16(13)21-3)18(20)12-7-5-4-6-11(12)17(14)19/h4-10,21H,1-3H3
InChIKeyUVQVRNXYBPPXDZ-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione?
The IUPAC name of 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione (CID 90900805) is 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione.
What is the SMILES notation for 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione?
The canonical SMILES for 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione is CPc1cc2c(cc1C(C)C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione?
The InChIKey is UVQVRNXYBPPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O2P/c1-10(2)13-8-14-15(9-16(13)21-3)18(20)12-7-5-4-6-11(12)17(14)19/h4-10,21H,1-3H3.
What are the key properties of 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione?
2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione has a molecular weight of 296.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphosphanyl-3-propan-2-ylanthracene-9,10-dione is sourced from PubChem (CID 90900805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).