4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol

C26H22O3 — CID 101277634

IUPAC4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
SMILESOc1ccc(Cc2cccc(Oc3cccc(Cc4ccc(O)cc4)c3)c2)cc1
InChIInChI=1S/C26H22O3/c27-23-11-7-19(8-12-23)15-21-3-1-5-25(17-21)29-26-6-2-4-22(18-26)16-20-9-13-24(28)14-10-20/h1-14,17-18,27-28H,15-16H2
InChIKeyXFMDKQVAJOGQOU-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.07
Rot. Bonds6

About 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol

4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol (PubChem CID 101277634) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
PubChem CID101277634
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
SMILESOc1ccc(Cc2cccc(Oc3cccc(Cc4ccc(O)cc4)c3)c2)cc1
InChIInChI=1S/C26H22O3/c27-23-11-7-19(8-12-23)15-21-3-1-5-25(17-21)29-26-6-2-4-22(18-26)16-20-9-13-24(28)14-10-20/h1-14,17-18,27-28H,15-16H2
InChIKeyXFMDKQVAJOGQOU-UHFFFAOYSA-N
XLogP6.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]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

3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
5-[2-(4-hydroxyphenyl)ethyl]-2-[3-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,3-diol
CID 172870724
CID 131886054
CID 131886054
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
CID 57193803
4-(3-benzylphenyl)phenol
CID 101277658
2,6-dichloro-N-[4-[(3-phenoxyphenyl)methyl]phenyl]aniline
CID 19813723
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol?
The IUPAC name of 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol (CID 101277634) is 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol.
What is the SMILES notation for 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol?
The canonical SMILES for 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol is Oc1ccc(Cc2cccc(Oc3cccc(Cc4ccc(O)cc4)c3)c2)cc1.
What is the InChIKey of 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol?
The InChIKey is XFMDKQVAJOGQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3/c27-23-11-7-19(8-12-23)15-21-3-1-5-25(17-21)29-26-6-2-4-22(18-26)16-20-9-13-24(28)14-10-20/h1-14,17-18,27-28H,15-16H2.
What are the key properties of 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol?
4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol has a molecular weight of 382.46 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol is sourced from PubChem (CID 101277634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).