4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol

C32H34O3 — CID 22925946

IUPAC4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
SMILESCCCc1ccc(C(OC(c2ccc(O)cc2)c2ccc(CCC)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O3/c1-3-5-23-7-11-25(12-8-23)31(27-15-19-29(33)20-16-27)35-32(28-17-21-30(34)22-18-28)26-13-9-24(6-4-2)10-14-26/h7-22,31-34H,3-6H2,1-2H3
InChIKeyWTENKZDBPVCKIU-UHFFFAOYSA-N
MW466.62 g/mol
LogP7.90
Rot. Bonds10

About 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol

4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol (PubChem CID 22925946) has the molecular formula C32H34O3 and a molecular weight of 466.62 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
PubChem CID22925946
Molecular FormulaC32H34O3
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
SMILESCCCc1ccc(C(OC(c2ccc(O)cc2)c2ccc(CCC)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O3/c1-3-5-23-7-11-25(12-8-23)31(27-15-19-29(33)20-16-27)35-32(28-17-21-30(34)22-18-28)26-13-9-24(6-4-2)10-14-26/h7-22,31-34H,3-6H2,1-2H3
InChIKeyWTENKZDBPVCKIU-UHFFFAOYSA-N
XLogP7.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
CID 22925884
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-propylphenol;toluene
CID 174488913
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
4-butylphenol;phenol;4-propylphenol
CID 157420199
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
4-butylphenol;tungsten
CID 174758928
phenol;propylbenzene
CID 18469730
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
CID 116502564
2-chloro-3-methyloxirane;4-propylphenol
CID 174468610

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol?
The IUPAC name of 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol (CID 22925946) is 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol?
The canonical SMILES for 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol is CCCc1ccc(C(OC(c2ccc(O)cc2)c2ccc(CCC)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol?
The InChIKey is WTENKZDBPVCKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3/c1-3-5-23-7-11-25(12-8-23)31(27-15-19-29(33)20-16-27)35-32(28-17-21-30(34)22-18-28)26-13-9-24(6-4-2)10-14-26/h7-22,31-34H,3-6H2,1-2H3.
What are the key properties of 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol?
4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol has a molecular weight of 466.62 g/mol, XLogP of 7.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol is sourced from PubChem (CID 22925946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).