4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol

C21H20O2 — CID 13030783

IUPAC4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
SMILESOc1ccc(C(CCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O2/c22-19-11-7-17(8-12-19)21(18-9-13-20(23)14-10-18)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23H,6,15H2
InChIKeyWILMRWQOOKZZHF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.86
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol

4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol (PubChem CID 13030783) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
PubChem CID13030783
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
SMILESOc1ccc(C(CCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20O2/c22-19-11-7-17(8-12-19)21(18-9-13-20(23)14-10-18)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23H,6,15H2
InChIKeyWILMRWQOOKZZHF-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
4-(5,5-diphenylpentyl)phenol
CID 66865945
CID 144815287
CID 144815287
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
3-(1,3-diphenylpropyl)benzene-1,2-diol
CID 54385073
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
4-[4-amino-5-hydroxy-1-(4-hydroxyphenyl)-3-methyl-7-phenylheptyl]phenol;hydrochloride
CID 70186208
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
CID 139702369
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol (CID 13030783) is 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol is Oc1ccc(C(CCc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The InChIKey is WILMRWQOOKZZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c22-19-11-7-17(8-12-19)21(18-9-13-20(23)14-10-18)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23H,6,15H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol is sourced from PubChem (CID 13030783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).