bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium

C16H18O7P+ — CID 175386963

IUPACbis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium
SMILESCOc1cc(O)cc(CO[P+](=O)OCc2cc(O)cc(OC)c2)c1
InChIInChI=1S/C16H17O7P/c1-20-15-5-11(3-13(17)7-15)9-22-24(19)23-10-12-4-14(18)8-16(6-12)21-2/h3-8H,9-10H2,1-2H3,(H-,17,18)/p+1
InChIKeyUBSJXRKGLKMYAU-UHFFFAOYSA-O
MW353.29 g/mol
LogP3.51
Rot. Bonds8

About bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium

bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium (PubChem CID 175386963) has the molecular formula C16H18O7P+ and a molecular weight of 353.29 g/mol. Its IUPAC name is bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium
PubChem CID175386963
Molecular FormulaC16H18O7P+
Molecular Weight353.29 g/mol
Exact Mass353.08
IUPAC Namebis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium
SMILESCOc1cc(O)cc(CO[P+](=O)OCc2cc(O)cc(OC)c2)c1
InChIInChI=1S/C16H17O7P/c1-20-15-5-11(3-13(17)7-15)9-22-24(19)23-10-12-4-14(18)8-16(6-12)21-2/h3-8H,9-10H2,1-2H3,(H-,17,18)/p+1
InChIKeyUBSJXRKGLKMYAU-UHFFFAOYSA-O
XLogP3.51
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium 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

3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
3-butyl-5-methoxyphenol
CID 12836529
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethoxy-oxophosphanium;nickel
CID 158653418
3-methoxy-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]phenol
CID 53492766
3-(ethylamino)-5-methoxyphenol
CID 142928379
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
CID 135039830
2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
CID 89258147

Frequently Asked Questions

What is the IUPAC name of bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium (CID 175386963) is bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium is COc1cc(O)cc(CO[P+](=O)OCc2cc(O)cc(OC)c2)c1.
What is the InChIKey of bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium?
The InChIKey is UBSJXRKGLKMYAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17O7P/c1-20-15-5-11(3-13(17)7-15)9-22-24(19)23-10-12-4-14(18)8-16(6-12)21-2/h3-8H,9-10H2,1-2H3,(H-,17,18)/p+1.
What are the key properties of bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium?
bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium has a molecular weight of 353.29 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-hydroxy-5-methoxyphenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 175386963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).