1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone

C22H28O2 — CID 67951263

IUPAC1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone
SMILESCCCCc1cc(O)c(CCCC)c(-c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H28O2/c1-4-6-8-17-14-21(20(9-7-5-2)22(24)15-17)19-12-10-18(11-13-19)16(3)23/h10-15,24H,4-9H2,1-3H3
InChIKeyZBDZLCKXGDMYGU-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.95
Rot. Bonds8

About 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone

1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone (PubChem CID 67951263) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone
PubChem CID67951263
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone
SMILESCCCCc1cc(O)c(CCCC)c(-c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H28O2/c1-4-6-8-17-14-21(20(9-7-5-2)22(24)15-17)19-12-10-18(11-13-19)16(3)23/h10-15,24H,4-9H2,1-3H3
InChIKeyZBDZLCKXGDMYGU-UHFFFAOYSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibutyl-3-phenylphenol
CID 122215941
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
1-[4-[5-(4-butylphenyl)-1,2-oxazol-3-yl]phenyl]ethanone
CID 58428317
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
3,5-dibutyl-2-methylphenol
CID 10285910
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
CID 147004042
4-butyl-2-hydroxybenzoic acid
CID 14895249
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone (CID 67951263) is 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone is CCCCc1cc(O)c(CCCC)c(-c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone?
The InChIKey is ZBDZLCKXGDMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-4-6-8-17-14-21(20(9-7-5-2)22(24)15-17)19-12-10-18(11-13-19)16(3)23/h10-15,24H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone?
1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone has a molecular weight of 324.46 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone is sourced from PubChem (CID 67951263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).