naphthalen-2-ylmethylphosphonic acid

C11H11O3P — CID 3696145

IUPACnaphthalen-2-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C11H11O3P/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,12,13,14)
InChIKeyHELZKSLXGDCKJK-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.52
Rot. Bonds2

About naphthalen-2-ylmethylphosphonic acid

naphthalen-2-ylmethylphosphonic acid (PubChem CID 3696145) has the molecular formula C11H11O3P and a molecular weight of 222.18 g/mol. Its IUPAC name is naphthalen-2-ylmethylphosphonic acid.

Molecular Properties

Compound Namenaphthalen-2-ylmethylphosphonic acid
PubChem CID3696145
Molecular FormulaC11H11O3P
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Namenaphthalen-2-ylmethylphosphonic acid
SMILESO=P(O)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C11H11O3P/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,12,13,14)
InChIKeyHELZKSLXGDCKJK-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.52
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

[naphthalen-2-ylmethyl(phosphonomethyl)amino]methylphosphonic acid
CID 20776509
naphthalen-2-ylmethyl(pentan-2-yloxy)phosphinic acid
CID 152677811
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
CID 14148730
[2,4-bis(phosphonomethyl)phenyl]methylphosphonic acid
CID 10247916
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
[8-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]methylphosphonic acid
CID 10990879
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
CID 20634483
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
[2-ethyl-4-(phosphonomethyl)phenyl]methylphosphonic acid
CID 88617789

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethylphosphonic acid?
The IUPAC name of naphthalen-2-ylmethylphosphonic acid (CID 3696145) is naphthalen-2-ylmethylphosphonic acid.
What is the SMILES notation for naphthalen-2-ylmethylphosphonic acid?
The canonical SMILES for naphthalen-2-ylmethylphosphonic acid is O=P(O)(O)Cc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethylphosphonic acid?
The InChIKey is HELZKSLXGDCKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O3P/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,12,13,14).
What are the key properties of naphthalen-2-ylmethylphosphonic acid?
naphthalen-2-ylmethylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethylphosphonic acid is sourced from PubChem (CID 3696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).