(1-methylnaphthalen-2-yl)phosphonic acid

C11H11O3P — CID 140517432

IUPAC(1-methylnaphthalen-2-yl)phosphonic acid
SMILESCc1c(P(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C11H11O3P/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyBAPOVMWWYYKEID-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.95
Rot. Bonds1

About (1-methylnaphthalen-2-yl)phosphonic acid

(1-methylnaphthalen-2-yl)phosphonic acid (PubChem CID 140517432) has the molecular formula C11H11O3P and a molecular weight of 222.18 g/mol. Its IUPAC name is (1-methylnaphthalen-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1-methylnaphthalen-2-yl)phosphonic acid
PubChem CID140517432
Molecular FormulaC11H11O3P
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name(1-methylnaphthalen-2-yl)phosphonic acid
SMILESCc1c(P(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C11H11O3P/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyBAPOVMWWYYKEID-UHFFFAOYSA-N
XLogP1.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-1-methylnaphthalene
CID 150613039
naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
CID 20606068
(1-methylnaphthalen-2-yl)methanol
CID 15054223
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
(1-methylnaphthalen-2-yl) thiohypoiodite
CID 167052202
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 102399893
(4-methoxy-2-methyl-3-phenylphenyl)phosphonic acid
CID 89463077

Frequently Asked Questions

What is the IUPAC name of (1-methylnaphthalen-2-yl)phosphonic acid?
The IUPAC name of (1-methylnaphthalen-2-yl)phosphonic acid (CID 140517432) is (1-methylnaphthalen-2-yl)phosphonic acid.
What is the SMILES notation for (1-methylnaphthalen-2-yl)phosphonic acid?
The canonical SMILES for (1-methylnaphthalen-2-yl)phosphonic acid is Cc1c(P(=O)(O)O)ccc2ccccc12.
What is the InChIKey of (1-methylnaphthalen-2-yl)phosphonic acid?
The InChIKey is BAPOVMWWYYKEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O3P/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14/h2-7H,1H3,(H2,12,13,14).
What are the key properties of (1-methylnaphthalen-2-yl)phosphonic acid?
(1-methylnaphthalen-2-yl)phosphonic acid has a molecular weight of 222.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylnaphthalen-2-yl)phosphonic acid is sourced from PubChem (CID 140517432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).