2,5-dibutyl-3-phenylphenol

C20H26O — CID 122215941

IUPAC2,5-dibutyl-3-phenylphenol
SMILESCCCCc1cc(O)c(CCCC)c(-c2ccccc2)c1
InChIInChI=1S/C20H26O/c1-3-5-10-16-14-19(17-11-8-7-9-12-17)18(13-6-4-2)20(21)15-16/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3
InChIKeyDSZHJWDWOSEDRD-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.74
Rot. Bonds7

About 2,5-dibutyl-3-phenylphenol

2,5-dibutyl-3-phenylphenol (PubChem CID 122215941) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,5-dibutyl-3-phenylphenol.

Molecular Properties

Compound Name2,5-dibutyl-3-phenylphenol
PubChem CID122215941
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2,5-dibutyl-3-phenylphenol
SMILESCCCCc1cc(O)c(CCCC)c(-c2ccccc2)c1
InChIInChI=1S/C20H26O/c1-3-5-10-16-14-19(17-11-8-7-9-12-17)18(13-6-4-2)20(21)15-16/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3
InChIKeyDSZHJWDWOSEDRD-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dibutyl-3-phenylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,5-dibutyl-3-hydroxyphenyl)phenyl]ethanone
CID 67951263
4-pentyl-2-phenylphenol
CID 154147556
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
3-butyl-2-methyl-4-phenylphenol
CID 68552702
4-butylbenzene-1,2-diol;phenol
CID 170169190
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
5-hexyl-2-methyl-3-phenylpyridine
CID 102336326

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3-phenylphenol?
The IUPAC name of 2,5-dibutyl-3-phenylphenol (CID 122215941) is 2,5-dibutyl-3-phenylphenol.
What is the SMILES notation for 2,5-dibutyl-3-phenylphenol?
The canonical SMILES for 2,5-dibutyl-3-phenylphenol is CCCCc1cc(O)c(CCCC)c(-c2ccccc2)c1.
What is the InChIKey of 2,5-dibutyl-3-phenylphenol?
The InChIKey is DSZHJWDWOSEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-5-10-16-14-19(17-11-8-7-9-12-17)18(13-6-4-2)20(21)15-16/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3.
What are the key properties of 2,5-dibutyl-3-phenylphenol?
2,5-dibutyl-3-phenylphenol has a molecular weight of 282.43 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3-phenylphenol is sourced from PubChem (CID 122215941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).