2-benzyl-3-butyl-5-phenylphenol

C23H24O — CID 122215944

IUPAC2-benzyl-3-butyl-5-phenylphenol
SMILESCCCCc1cc(-c2ccccc2)cc(O)c1Cc1ccccc1
InChIInChI=1S/C23H24O/c1-2-3-12-20-16-21(19-13-8-5-9-14-19)17-23(24)22(20)15-18-10-6-4-7-11-18/h4-11,13-14,16-17,24H,2-3,12,15H2,1H3
InChIKeyORZCDVHZFILKEO-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.99
Rot. Bonds6

About 2-benzyl-3-butyl-5-phenylphenol

2-benzyl-3-butyl-5-phenylphenol (PubChem CID 122215944) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-benzyl-3-butyl-5-phenylphenol.

Molecular Properties

Compound Name2-benzyl-3-butyl-5-phenylphenol
PubChem CID122215944
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name2-benzyl-3-butyl-5-phenylphenol
SMILESCCCCc1cc(-c2ccccc2)cc(O)c1Cc1ccccc1
InChIInChI=1S/C23H24O/c1-2-3-12-20-16-21(19-13-8-5-9-14-19)17-23(24)22(20)15-18-10-6-4-7-11-18/h4-11,13-14,16-17,24H,2-3,12,15H2,1H3
InChIKeyORZCDVHZFILKEO-UHFFFAOYSA-N
XLogP5.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-3-butyl-5-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

4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
1-benzyl-2,3-dibutylbenzene;phenol
CID 174805048
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
2-benzyl-5-pentadecylphenol
CID 10938093
2,5-dibutyl-3-phenylphenol
CID 122215941
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
4-benzyl-3-butyl-5-sulfamoylbenzoic acid
CID 154132980
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804
4-phenyl-2,6-dipropylphenol
CID 66879307
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2,3,4,5-tetrabenzylphenol
CID 135379668

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-butyl-5-phenylphenol?
The IUPAC name of 2-benzyl-3-butyl-5-phenylphenol (CID 122215944) is 2-benzyl-3-butyl-5-phenylphenol.
What is the SMILES notation for 2-benzyl-3-butyl-5-phenylphenol?
The canonical SMILES for 2-benzyl-3-butyl-5-phenylphenol is CCCCc1cc(-c2ccccc2)cc(O)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-butyl-5-phenylphenol?
The InChIKey is ORZCDVHZFILKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-2-3-12-20-16-21(19-13-8-5-9-14-19)17-23(24)22(20)15-18-10-6-4-7-11-18/h4-11,13-14,16-17,24H,2-3,12,15H2,1H3.
What are the key properties of 2-benzyl-3-butyl-5-phenylphenol?
2-benzyl-3-butyl-5-phenylphenol has a molecular weight of 316.44 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-butyl-5-phenylphenol is sourced from PubChem (CID 122215944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).