naphthalen-2-yl(phenyl)phosphinic acid

C16H13O2P — CID 102162733

IUPACnaphthalen-2-yl(phenyl)phosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H13O2P/c17-19(18,15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H,17,18)
InChIKeyLQMCFAYQKJDLJE-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.06
Rot. Bonds2

About naphthalen-2-yl(phenyl)phosphinic acid

naphthalen-2-yl(phenyl)phosphinic acid (PubChem CID 102162733) has the molecular formula C16H13O2P and a molecular weight of 268.25 g/mol. Its IUPAC name is naphthalen-2-yl(phenyl)phosphinic acid.

Molecular Properties

Compound Namenaphthalen-2-yl(phenyl)phosphinic acid
PubChem CID102162733
Molecular FormulaC16H13O2P
Molecular Weight268.25 g/mol
Exact Mass268.07
IUPAC Namenaphthalen-2-yl(phenyl)phosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H13O2P/c17-19(18,15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H,17,18)
InChIKeyLQMCFAYQKJDLJE-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl(phenyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
diphenylphosphinic acid chloride
CID 53401992
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125
2-[methoxymethyl(phenyl)phosphoryl]naphthalene
CID 100982565
2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene
CID 155930984
methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
CID 23421632
(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
2-diphenylphosphorylsulfanylnaphthalene
CID 132937680
3-diphenylphosphorylphenanthrene
CID 170944174
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(phenyl)phosphinic acid?
The IUPAC name of naphthalen-2-yl(phenyl)phosphinic acid (CID 102162733) is naphthalen-2-yl(phenyl)phosphinic acid.
What is the SMILES notation for naphthalen-2-yl(phenyl)phosphinic acid?
The canonical SMILES for naphthalen-2-yl(phenyl)phosphinic acid is O=P(O)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl(phenyl)phosphinic acid?
The InChIKey is LQMCFAYQKJDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O2P/c17-19(18,15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H,17,18).
What are the key properties of naphthalen-2-yl(phenyl)phosphinic acid?
naphthalen-2-yl(phenyl)phosphinic acid has a molecular weight of 268.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(phenyl)phosphinic acid is sourced from PubChem (CID 102162733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).