2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol

C21H28O2 — CID 121386327

IUPAC2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(Cc2ccc(O)c(CCCC)c2)ccc1O
InChIInChI=1S/C21H28O2/c1-3-5-7-18-14-16(9-11-20(18)22)13-17-10-12-21(23)19(15-17)8-6-4-2/h9-12,14-15,22-23H,3-8,13H2,1-2H3
InChIKeyDGVMQDBXDOEPER-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.37
Rot. Bonds8

About 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol

2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol (PubChem CID 121386327) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
PubChem CID121386327
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
SMILESCCCCc1cc(Cc2ccc(O)c(CCCC)c2)ccc1O
InChIInChI=1S/C21H28O2/c1-3-5-7-18-14-16(9-11-20(18)22)13-17-10-12-21(23)19(15-17)8-6-4-2/h9-12,14-15,22-23H,3-8,13H2,1-2H3
InChIKeyDGVMQDBXDOEPER-UHFFFAOYSA-N
XLogP5.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
2-butyl-4-(2-trimethylsilylethyl)phenol
CID 150413765
2-butyl-4-(methylamino)phenol
CID 154275387
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22921039
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22920870
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-butylphenyl]methyl]phenyl]methyl]-3-butylphenyl]methyl]aniline
CID 18976827
4-[(dimethylamino)methyl]-2-octylphenol
CID 70503511
1-[(3-butyl-4-hydroxyphenyl)methyl]pyrrole-2,5-dione
CID 175274089
4-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 174629007
2-ethyl-4-heptylphenol
CID 58289223
2-[2-(4-hydroxy-3-pentylphenyl)acetyl]oxyethyl 2-(4-hydroxy-3-pentylphenyl)acetate
CID 22133493
1,4-dibenzyl-2-octylbenzene
CID 22921224

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol (CID 121386327) is 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol is CCCCc1cc(Cc2ccc(O)c(CCCC)c2)ccc1O.
What is the InChIKey of 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol?
The InChIKey is DGVMQDBXDOEPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-3-5-7-18-14-16(9-11-20(18)22)13-17-10-12-21(23)19(15-17)8-6-4-2/h9-12,14-15,22-23H,3-8,13H2,1-2H3.
What are the key properties of 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol?
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol has a molecular weight of 312.45 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 121386327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).