2-methyl-1-phosphorosonaphthalene

C11H9OP — CID 175490061

IUPAC2-methyl-1-phosphorosonaphthalene
SMILESCc1ccc2ccccc2c1P=O
InChIInChI=1S/C11H9OP/c1-8-6-7-9-4-2-3-5-10(9)11(8)13-12/h2-7H,1H3
InChIKeyMUIVWQHMBRLYPD-UHFFFAOYSA-N
MW188.17 g/mol
LogP3.07
Rot. Bonds1

About 2-methyl-1-phosphorosonaphthalene

2-methyl-1-phosphorosonaphthalene (PubChem CID 175490061) has the molecular formula C11H9OP and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-methyl-1-phosphorosonaphthalene.

Molecular Properties

Compound Name2-methyl-1-phosphorosonaphthalene
PubChem CID175490061
Molecular FormulaC11H9OP
Molecular Weight188.17 g/mol
Exact Mass188.04
IUPAC Name2-methyl-1-phosphorosonaphthalene
SMILESCc1ccc2ccccc2c1P=O
InChIInChI=1S/C11H9OP/c1-8-6-7-9-4-2-3-5-10(9)11(8)13-12/h2-7H,1H3
InChIKeyMUIVWQHMBRLYPD-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 53.07
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 2-methyl-1-phosphorosonaphthalene?
The IUPAC name of 2-methyl-1-phosphorosonaphthalene (CID 175490061) is 2-methyl-1-phosphorosonaphthalene.
What is the SMILES notation for 2-methyl-1-phosphorosonaphthalene?
The canonical SMILES for 2-methyl-1-phosphorosonaphthalene is Cc1ccc2ccccc2c1P=O.
What is the InChIKey of 2-methyl-1-phosphorosonaphthalene?
The InChIKey is MUIVWQHMBRLYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9OP/c1-8-6-7-9-4-2-3-5-10(9)11(8)13-12/h2-7H,1H3.
What are the key properties of 2-methyl-1-phosphorosonaphthalene?
2-methyl-1-phosphorosonaphthalene has a molecular weight of 188.17 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phosphorosonaphthalene is sourced from PubChem (CID 175490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).