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

C25H20O4 — CID 153483727

IUPAC3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
SMILESOc1cccc(Oc2ccc(Cc3ccc(Oc4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C25H20O4/c26-20-3-1-5-24(16-20)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-25-6-2-4-21(27)17-25/h1-14,16-17,26-27H,15H2
InChIKeyVMOXLJXSTJKNFK-UHFFFAOYSA-N
MW384.43 g/mol
LogP6.27
Rot. Bonds6

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

3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol (PubChem CID 153483727) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol.

Molecular Properties

Compound Name3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
PubChem CID153483727
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
SMILESOc1cccc(Oc2ccc(Cc3ccc(Oc4cccc(O)c4)cc3)cc2)c1
InChIInChI=1S/C25H20O4/c26-20-3-1-5-24(16-20)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-25-6-2-4-21(27)17-25/h1-14,16-17,26-27H,15H2
InChIKeyVMOXLJXSTJKNFK-UHFFFAOYSA-N
XLogP6.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
CID 101277634
3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 172871078
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
5-[2-(4-hydroxyphenyl)ethyl]-2-[3-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,3-diol
CID 172870724
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
CID 141141650
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol?
The IUPAC name of 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol (CID 153483727) is 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol.
What is the SMILES notation for 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol?
The canonical SMILES for 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol is Oc1cccc(Oc2ccc(Cc3ccc(Oc4cccc(O)c4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol?
The InChIKey is VMOXLJXSTJKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c26-20-3-1-5-24(16-20)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-25-6-2-4-21(27)17-25/h1-14,16-17,26-27H,15H2.
What are the key properties of 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol?
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol has a molecular weight of 384.43 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol is sourced from PubChem (CID 153483727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).