4-benzyl-5-butyl-3-methyl-2-phenylphenol

C24H26O — CID 10359307

IUPAC4-benzyl-5-butyl-3-methyl-2-phenylphenol
SMILESCCCCc1cc(O)c(-c2ccccc2)c(C)c1Cc1ccccc1
InChIInChI=1S/C24H26O/c1-3-4-13-21-17-23(25)24(20-14-9-6-10-15-20)18(2)22(21)16-19-11-7-5-8-12-19/h5-12,14-15,17,25H,3-4,13,16H2,1-2H3
InChIKeyRWBSIAAELPSXOX-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.30
Rot. Bonds6

About 4-benzyl-5-butyl-3-methyl-2-phenylphenol

4-benzyl-5-butyl-3-methyl-2-phenylphenol (PubChem CID 10359307) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-benzyl-5-butyl-3-methyl-2-phenylphenol.

Molecular Properties

Compound Name4-benzyl-5-butyl-3-methyl-2-phenylphenol
PubChem CID10359307
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name4-benzyl-5-butyl-3-methyl-2-phenylphenol
SMILESCCCCc1cc(O)c(-c2ccccc2)c(C)c1Cc1ccccc1
InChIInChI=1S/C24H26O/c1-3-4-13-21-17-23(25)24(20-14-9-6-10-15-20)18(2)22(21)16-19-11-7-5-8-12-19/h5-12,14-15,17,25H,3-4,13,16H2,1-2H3
InChIKeyRWBSIAAELPSXOX-UHFFFAOYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-butyl-5-phenylphenol
CID 122215944
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
CID 66654402
CID 66654402
1-benzyl-2,3-dibutylbenzene;phenol
CID 174805048
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
CID 150437166
1,3-dibutyl-2-phenylbenzene
CID 15421912
2,5-dibutyl-3-phenylphenol
CID 122215941
(4,5-dibutyl-2-nonyl-3-phenylphenyl) dihydrogen phosphite
CID 88767163
2-benzyl-1,4-dimethyl-3-phenylnaphthalene
CID 102201254

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-butyl-3-methyl-2-phenylphenol?
The IUPAC name of 4-benzyl-5-butyl-3-methyl-2-phenylphenol (CID 10359307) is 4-benzyl-5-butyl-3-methyl-2-phenylphenol.
What is the SMILES notation for 4-benzyl-5-butyl-3-methyl-2-phenylphenol?
The canonical SMILES for 4-benzyl-5-butyl-3-methyl-2-phenylphenol is CCCCc1cc(O)c(-c2ccccc2)c(C)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-butyl-3-methyl-2-phenylphenol?
The InChIKey is RWBSIAAELPSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-3-4-13-21-17-23(25)24(20-14-9-6-10-15-20)18(2)22(21)16-19-11-7-5-8-12-19/h5-12,14-15,17,25H,3-4,13,16H2,1-2H3.
What are the key properties of 4-benzyl-5-butyl-3-methyl-2-phenylphenol?
4-benzyl-5-butyl-3-methyl-2-phenylphenol has a molecular weight of 330.47 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-butyl-3-methyl-2-phenylphenol is sourced from PubChem (CID 10359307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).