4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol

C22H22O3 — CID 22051947

IUPAC4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H22O3/c1-3-22(16-4-10-19(23)11-5-16,17-6-12-20(24)13-7-17)18-8-14-21(25-2)15-9-18/h4-15,23-24H,3H2,1-2H3
InChIKeyFRFLNASITMEBST-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.85
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol (PubChem CID 22051947) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
PubChem CID22051947
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H22O3/c1-3-22(16-4-10-19(23)11-5-16,17-6-12-20(24)13-7-17)18-8-14-21(25-2)15-9-18/h4-15,23-24H,3H2,1-2H3
InChIKeyFRFLNASITMEBST-UHFFFAOYSA-N
XLogP4.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
CID 18698969
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
methane;4-methoxyphenol
CID 159494332
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
4-[1-(4-fluorophenyl)-1-(4-hydroxyphenyl)propyl]phenol
CID 59267008
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol (CID 22051947) is 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol is CCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol?
The InChIKey is FRFLNASITMEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-3-22(16-4-10-19(23)11-5-16,17-6-12-20(24)13-7-17)18-8-14-21(25-2)15-9-18/h4-15,23-24H,3H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol?
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol is sourced from PubChem (CID 22051947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).