4-[4-(4-butan-2-ylphenoxy)phenyl]phenol

C22H22O2 — CID 131968930

IUPAC4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
SMILESCCC(C)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-3-16(2)17-6-12-21(13-7-17)24-22-14-8-19(9-15-22)18-4-10-20(23)11-5-18/h4-16,23H,3H2,1-2H3
InChIKeySXEOPZDHSMZZIS-UHFFFAOYSA-N
MW318.42 g/mol
LogP6.36
Rot. Bonds5

About 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol

4-[4-(4-butan-2-ylphenoxy)phenyl]phenol (PubChem CID 131968930) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
PubChem CID131968930
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
SMILESCCC(C)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-3-16(2)17-6-12-21(13-7-17)24-22-14-8-19(9-15-22)18-4-10-20(23)11-5-18/h4-16,23H,3H2,1-2H3
InChIKeySXEOPZDHSMZZIS-UHFFFAOYSA-N
XLogP6.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 162034516
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol?
The IUPAC name of 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol (CID 131968930) is 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol.
What is the SMILES notation for 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol?
The canonical SMILES for 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol is CCC(C)c1ccc(Oc2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol?
The InChIKey is SXEOPZDHSMZZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-3-16(2)17-6-12-21(13-7-17)24-22-14-8-19(9-15-22)18-4-10-20(23)11-5-18/h4-16,23H,3H2,1-2H3.
What are the key properties of 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol?
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol has a molecular weight of 318.42 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butan-2-ylphenoxy)phenyl]phenol is sourced from PubChem (CID 131968930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).