4-[4,4-bis(4-hydroxyphenyl)butyl]phenol

C22H22O3 — CID 56999686

IUPAC4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCCC(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O3/c23-19-10-4-16(5-11-19)2-1-3-22(17-6-12-20(24)13-7-17)18-8-14-21(25)15-9-18/h4-15,22-25H,1-3H2
InChIKeyCYHIEYGJKUMMSY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.96
Rot. Bonds6

About 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol

4-[4,4-bis(4-hydroxyphenyl)butyl]phenol (PubChem CID 56999686) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
PubChem CID56999686
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCCC(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O3/c23-19-10-4-16(5-11-19)2-1-3-22(17-6-12-20(24)13-7-17)18-8-14-21(25)15-9-18/h4-15,22-25H,1-3H2
InChIKeyCYHIEYGJKUMMSY-UHFFFAOYSA-N
XLogP4.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,5-diphenylpentyl)phenol
CID 66865945
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
CID 139906283
4-(4-methylpentyl)phenol;phenol
CID 174866001
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[4-(3,4-dihydroxyphenyl)-4-phenylbutyl]benzene-1,2-diol
CID 57182944
4-[(4R)-4,5-diaminopentyl]phenol
CID 67087005
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol (CID 56999686) is 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol is Oc1ccc(CCCC(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol?
The InChIKey is CYHIEYGJKUMMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c23-19-10-4-16(5-11-19)2-1-3-22(17-6-12-20(24)13-7-17)18-8-14-21(25)15-9-18/h4-15,22-25H,1-3H2.
What are the key properties of 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol?
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 56999686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).