4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol

C30H30O2 — CID 143290824

IUPAC4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)c1ccc(Oc2cccc(C(CC)c3ccccc3)c2)cc1
InChIInChI=1S/C30H30O2/c1-3-29(23-13-17-26(31)18-14-23)24-15-19-27(20-16-24)32-28-12-8-11-25(21-28)30(4-2)22-9-6-5-7-10-22/h5-21,29-31H,3-4H2,1-2H3
InChIKeyHRKQNUPRHOYVJF-UHFFFAOYSA-N
MW422.57 g/mol
LogP8.27
Rot. Bonds8

About 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol

4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol (PubChem CID 143290824) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
PubChem CID143290824
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)c1ccc(Oc2cccc(C(CC)c3ccccc3)c2)cc1
InChIInChI=1S/C30H30O2/c1-3-29(23-13-17-26(31)18-14-23)24-15-19-27(20-16-24)32-28-12-8-11-25(21-28)30(4-2)22-9-6-5-7-10-22/h5-21,29-31H,3-4H2,1-2H3
InChIKeyHRKQNUPRHOYVJF-UHFFFAOYSA-N
XLogP8.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol
CID 139386945
1-(3-phenoxyphenyl)ethanol
CID 12882419
4-phenoxyphenol;propanoic acid
CID 67658817
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
4-(3-aminophenoxy)phenol;butane
CID 157302455
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol?
The IUPAC name of 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol (CID 143290824) is 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol.
What is the SMILES notation for 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol?
The canonical SMILES for 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol is CCC(c1ccc(O)cc1)c1ccc(Oc2cccc(C(CC)c3ccccc3)c2)cc1.
What is the InChIKey of 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol?
The InChIKey is HRKQNUPRHOYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-3-29(23-13-17-26(31)18-14-23)24-15-19-27(20-16-24)32-28-12-8-11-25(21-28)30(4-2)22-9-6-5-7-10-22/h5-21,29-31H,3-4H2,1-2H3.
What are the key properties of 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol?
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol has a molecular weight of 422.57 g/mol, XLogP of 8.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol is sourced from PubChem (CID 143290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).