2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid

C25H21O5P — CID 68537246

IUPAC2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid
SMILESCc1cc2cc(O)ccc2c(Oc2ccc(C=CP(=O)(O)O)cc2)c1-c1ccccc1
InChIInChI=1S/C25H21O5P/c1-17-15-20-16-21(26)9-12-23(20)25(24(17)19-5-3-2-4-6-19)30-22-10-7-18(8-11-22)13-14-31(27,28)29/h2-16,26H,1H3,(H2,27,28,29)
InChIKeyGPQXRKFBSAAENN-UHFFFAOYSA-N
MW432.41 g/mol
LogP6.46
Rot. Bonds5

About 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid

2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid (PubChem CID 68537246) has the molecular formula C25H21O5P and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid.

Molecular Properties

Compound Name2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid
PubChem CID68537246
Molecular FormulaC25H21O5P
Molecular Weight432.41 g/mol
Exact Mass432.11
IUPAC Name2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid
SMILESCc1cc2cc(O)ccc2c(Oc2ccc(C=CP(=O)(O)O)cc2)c1-c1ccccc1
InChIInChI=1S/C25H21O5P/c1-17-15-20-16-21(26)9-12-23(20)25(24(17)19-5-3-2-4-6-19)30-22-10-7-18(8-11-22)13-14-31(27,28)29/h2-16,26H,1H3,(H2,27,28,29)
InChIKeyGPQXRKFBSAAENN-UHFFFAOYSA-N
XLogP6.46
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.41
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic 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

(E)-3-[3-fluoro-4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 11495320
4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 68534678
(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one
CID 58956878
(E)-3-[4-(6-hydroxy-3-pentyl-2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 11561520
(E)-3-[4-[6-hydroxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 11677309
N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide
CID 11663121
7-methyl-5-[4-(methylsulfanylamino)-3-(trifluoromethyl)phenoxy]-6-phenylnaphthalen-2-ol
CID 143160863
(E)-3-[4-(6-methoxy-3-methyl-2-thiophen-3-ylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 68541424
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640
7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol
CID 141134482
2-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 160938968
2-[4-[2-(3-fluorophenyl)-6-hydroxy-3-methylnaphthalen-1-yl]oxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 11691605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid?
The IUPAC name of 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid (CID 68537246) is 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid.
What is the SMILES notation for 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid?
The canonical SMILES for 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid is Cc1cc2cc(O)ccc2c(Oc2ccc(C=CP(=O)(O)O)cc2)c1-c1ccccc1.
What is the InChIKey of 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid?
The InChIKey is GPQXRKFBSAAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O5P/c1-17-15-20-16-21(26)9-12-23(20)25(24(17)19-5-3-2-4-6-19)30-22-10-7-18(8-11-22)13-14-31(27,28)29/h2-16,26H,1H3,(H2,27,28,29).
What are the key properties of 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid?
2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid has a molecular weight of 432.41 g/mol, XLogP of 6.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid is sourced from PubChem (CID 68537246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).