7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid

C18H14FO4P — CID 168981977

IUPAC7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(C(O)(F)POc3ccccc3)cc2c1
InChIInChI=1S/C18H14FO4P/c19-18(22,24-23-16-4-2-1-3-5-16)15-9-8-12-6-7-13(17(20)21)10-14(12)11-15/h1-11,22,24H,(H,20,21)
InChIKeyBRBQKCFKVSCOKS-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.28
Rot. Bonds5

About 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid

7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid (PubChem CID 168981977) has the molecular formula C18H14FO4P and a molecular weight of 344.28 g/mol. Its IUPAC name is 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid
PubChem CID168981977
Molecular FormulaC18H14FO4P
Molecular Weight344.28 g/mol
Exact Mass344.06
IUPAC Name7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(C(O)(F)POc3ccccc3)cc2c1
InChIInChI=1S/C18H14FO4P/c19-18(22,24-23-16-4-2-1-3-5-16)15-9-8-12-6-7-13(17(20)21)10-14(12)11-15/h1-11,22,24H,(H,20,21)
InChIKeyBRBQKCFKVSCOKS-UHFFFAOYSA-N
XLogP4.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid?
The IUPAC name of 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid (CID 168981977) is 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccc(C(O)(F)POc3ccccc3)cc2c1.
What is the InChIKey of 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid?
The InChIKey is BRBQKCFKVSCOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FO4P/c19-18(22,24-23-16-4-2-1-3-5-16)15-9-8-12-6-7-13(17(20)21)10-14(12)11-15/h1-11,22,24H,(H,20,21).
What are the key properties of 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid?
7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid has a molecular weight of 344.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 168981977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).