3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol

C20H26O2 — CID 23353932

IUPAC3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
SMILESCCCCc1cc(O)ccc1-c1ccc(O)cc1CCCC
InChIInChI=1S/C20H26O2/c1-3-5-7-15-13-17(21)9-11-19(15)20-12-10-18(22)14-16(20)8-6-4-2/h9-14,21-22H,3-8H2,1-2H3
InChIKeyVGFYRFVJWRECOJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.45
Rot. Bonds7

About 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol

3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol (PubChem CID 23353932) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
PubChem CID23353932
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
SMILESCCCCc1cc(O)ccc1-c1ccc(O)cc1CCCC
InChIInChI=1S/C20H26O2/c1-3-5-7-15-13-17(21)9-11-19(15)20-12-10-18(22)14-16(20)8-6-4-2/h9-14,21-22H,3-8H2,1-2H3
InChIKeyVGFYRFVJWRECOJ-UHFFFAOYSA-N
XLogP5.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hexylphenol
CID 15007737
3-bromo-4-butylphenol
CID 20571557
2-tridecylbenzene-1,4-diol
CID 19033717
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70568956
CID 70568956
CID 70369806
CID 70369806
4-(2-decyl-4-hydroxyphenyl)benzoic acid
CID 70357774
3-butyl-4-methylphenol;2-methylhexane
CID 142056802
2,2-bis(2-butyl-4-hydroxyphenyl)acetic acid
CID 172846961
4-tricosylbenzene-1,3-diol
CID 101133990
1-[(2-butyl-5-hydroxyphenyl)methylamino]ethane-1,1-diol
CID 101326302
(2-butyl-4-hydroxyphenyl)-phenyliodanium
CID 159014863

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol?
The IUPAC name of 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol (CID 23353932) is 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol.
What is the SMILES notation for 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol?
The canonical SMILES for 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol is CCCCc1cc(O)ccc1-c1ccc(O)cc1CCCC.
What is the InChIKey of 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol?
The InChIKey is VGFYRFVJWRECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-5-7-15-13-17(21)9-11-19(15)20-12-10-18(22)14-16(20)8-6-4-2/h9-14,21-22H,3-8H2,1-2H3.
What are the key properties of 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol?
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol has a molecular weight of 298.43 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol is sourced from PubChem (CID 23353932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).