2,3,4-tris(2-phenylethoxymethyl)phenol

C33H36O4 — CID 67178910

IUPAC2,3,4-tris(2-phenylethoxymethyl)phenol
SMILESOc1ccc(COCCc2ccccc2)c(COCCc2ccccc2)c1COCCc1ccccc1
InChIInChI=1S/C33H36O4/c34-33-17-16-30(24-35-21-18-27-10-4-1-5-11-27)31(25-36-22-19-28-12-6-2-7-13-28)32(33)26-37-23-20-29-14-8-3-9-15-29/h1-17,34H,18-26H2
InChIKeyVGRFCHBQQTWPJI-UHFFFAOYSA-N
MW496.65 g/mol
LogP6.67
Rot. Bonds15

About 2,3,4-tris(2-phenylethoxymethyl)phenol

2,3,4-tris(2-phenylethoxymethyl)phenol (PubChem CID 67178910) has the molecular formula C33H36O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 2,3,4-tris(2-phenylethoxymethyl)phenol.

Molecular Properties

Compound Name2,3,4-tris(2-phenylethoxymethyl)phenol
PubChem CID67178910
Molecular FormulaC33H36O4
Molecular Weight496.65 g/mol
Exact Mass496.26
IUPAC Name2,3,4-tris(2-phenylethoxymethyl)phenol
SMILESOc1ccc(COCCc2ccccc2)c(COCCc2ccccc2)c1COCCc1ccccc1
InChIInChI=1S/C33H36O4/c34-33-17-16-30(24-35-21-18-27-10-4-1-5-11-27)31(25-36-22-19-28-12-6-2-7-13-28)32(33)26-37-23-20-29-14-8-3-9-15-29/h1-17,34H,18-26H2
InChIKeyVGRFCHBQQTWPJI-UHFFFAOYSA-N
XLogP6.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,4-tris(2-phenylethoxymethyl)phenol 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-bis(2-phenylethoxymethyl)phenol;2,3-bis(3-phenylpropoxymethyl)phenol
CID 122553241
2-(6-phenylhexoxymethyl)phenol
CID 67178479
2-(2-phenylethoxymethyl)benzamide
CID 173153256
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(2-phenylethoxymethyl)phenol?
The IUPAC name of 2,3,4-tris(2-phenylethoxymethyl)phenol (CID 67178910) is 2,3,4-tris(2-phenylethoxymethyl)phenol.
What is the SMILES notation for 2,3,4-tris(2-phenylethoxymethyl)phenol?
The canonical SMILES for 2,3,4-tris(2-phenylethoxymethyl)phenol is Oc1ccc(COCCc2ccccc2)c(COCCc2ccccc2)c1COCCc1ccccc1.
What is the InChIKey of 2,3,4-tris(2-phenylethoxymethyl)phenol?
The InChIKey is VGRFCHBQQTWPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4/c34-33-17-16-30(24-35-21-18-27-10-4-1-5-11-27)31(25-36-22-19-28-12-6-2-7-13-28)32(33)26-37-23-20-29-14-8-3-9-15-29/h1-17,34H,18-26H2.
What are the key properties of 2,3,4-tris(2-phenylethoxymethyl)phenol?
2,3,4-tris(2-phenylethoxymethyl)phenol has a molecular weight of 496.65 g/mol, XLogP of 6.67, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(2-phenylethoxymethyl)phenol is sourced from PubChem (CID 67178910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).