(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate

C31H33O3P — CID 157058083

IUPAC(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate
SMILESCC(=O)[O-].COc1cccc(C[P+](c2ccccc2C)(c2ccccc2C)c2ccccc2C)c1
InChIInChI=1S/C29H30OP.C2H4O2/c1-22-12-5-8-17-27(22)31(28-18-9-6-13-23(28)2,29-19-10-7-14-24(29)3)21-25-15-11-16-26(20-25)30-4;1-2(3)4/h5-20H,21H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyAAZMRXMBGWSJPN-UHFFFAOYSA-M
MW484.58 g/mol
LogP4.87
Rot. Bonds6

About (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate

(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate (PubChem CID 157058083) has the molecular formula C31H33O3P and a molecular weight of 484.58 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate
PubChem CID157058083
Molecular FormulaC31H33O3P
Molecular Weight484.58 g/mol
Exact Mass484.22
IUPAC Name(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate
SMILESCC(=O)[O-].COc1cccc(C[P+](c2ccccc2C)(c2ccccc2C)c2ccccc2C)c1
InChIInChI=1S/C29H30OP.C2H4O2/c1-22-12-5-8-17-27(22)31(28-18-9-6-13-23(28)2,29-19-10-7-14-24(29)3)21-25-15-11-16-26(20-25)30-4;1-2(3)4/h5-20H,21H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyAAZMRXMBGWSJPN-UHFFFAOYSA-M
XLogP4.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate 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-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093415
[2-(3-methoxyphenyl)-1-phosphonoethyl]phosphonic acid
CID 167673236
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate?
The IUPAC name of (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate (CID 157058083) is (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate.
What is the SMILES notation for (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate?
The canonical SMILES for (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate is CC(=O)[O-].COc1cccc(C[P+](c2ccccc2C)(c2ccccc2C)c2ccccc2C)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate?
The InChIKey is AAZMRXMBGWSJPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H30OP.C2H4O2/c1-22-12-5-8-17-27(22)31(28-18-9-6-13-23(28)2,29-19-10-7-14-24(29)3)21-25-15-11-16-26(20-25)30-4;1-2(3)4/h5-20H,21H2,1-4H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate?
(3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate has a molecular weight of 484.58 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-tris(2-methylphenyl)phosphanium acetate is sourced from PubChem (CID 157058083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).