naphthalen-1-ylphosphonic acid;dihydrochloride

C10H11Cl2O3P — CID 175207516

IUPACnaphthalen-1-ylphosphonic acid;dihydrochloride
SMILESCl.Cl.O=P(O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H9O3P.2ClH/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);2*1H
InChIKeyTUAJJFHAFCCTNE-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.49
Rot. Bonds1

About naphthalen-1-ylphosphonic acid;dihydrochloride

naphthalen-1-ylphosphonic acid;dihydrochloride (PubChem CID 175207516) has the molecular formula C10H11Cl2O3P and a molecular weight of 281.08 g/mol. Its IUPAC name is naphthalen-1-ylphosphonic acid;dihydrochloride.

Molecular Properties

Compound Namenaphthalen-1-ylphosphonic acid;dihydrochloride
PubChem CID175207516
Molecular FormulaC10H11Cl2O3P
Molecular Weight281.08 g/mol
Exact Mass279.98
IUPAC Namenaphthalen-1-ylphosphonic acid;dihydrochloride
SMILESCl.Cl.O=P(O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H9O3P.2ClH/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);2*1H
InChIKeyTUAJJFHAFCCTNE-UHFFFAOYSA-N
XLogP2.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze naphthalen-1-ylphosphonic acid;dihydrochloride 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

lithium dinaphthalen-1-ylphosphinate
CID 141248266
(1-methylnaphthalen-2-yl)phosphonic acid
CID 140517432
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
1-diphenylphosphorylnaphthalene
CID 11023927
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
CID 54108452
sodium;hydride;naphthalen-1-ol;phosphoric acid
CID 174705460
(3-amino-5-phosphononaphthalen-1-yl)phosphonic acid
CID 54467399
(2-hydroxy-3-phosphonophenyl)phosphonic acid
CID 13318949
[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol
CID 122391034
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylphosphonic acid;dihydrochloride?
The IUPAC name of naphthalen-1-ylphosphonic acid;dihydrochloride (CID 175207516) is naphthalen-1-ylphosphonic acid;dihydrochloride.
What is the SMILES notation for naphthalen-1-ylphosphonic acid;dihydrochloride?
The canonical SMILES for naphthalen-1-ylphosphonic acid;dihydrochloride is Cl.Cl.O=P(O)(O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylphosphonic acid;dihydrochloride?
The InChIKey is TUAJJFHAFCCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3P.2ClH/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);2*1H.
What are the key properties of naphthalen-1-ylphosphonic acid;dihydrochloride?
naphthalen-1-ylphosphonic acid;dihydrochloride has a molecular weight of 281.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylphosphonic acid;dihydrochloride is sourced from PubChem (CID 175207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).