2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol

C20H26O2 — CID 22954449

IUPAC2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
SMILESCCCCc1ccc(-c2ccc(CCCC)c(O)c2)cc1O
InChIInChI=1S/C20H26O2/c1-3-5-7-15-9-11-17(13-19(15)21)18-12-10-16(8-6-4-2)20(22)14-18/h9-14,21-22H,3-8H2,1-2H3
InChIKeyHAIAYXYVNYPBMQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.45
Rot. Bonds7

About 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol

2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol (PubChem CID 22954449) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
PubChem CID22954449
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
SMILESCCCCc1ccc(-c2ccc(CCCC)c(O)c2)cc1O
InChIInChI=1S/C20H26O2/c1-3-5-7-15-9-11-17(13-19(15)21)18-12-10-16(8-6-4-2)20(22)14-18/h9-14,21-22H,3-8H2,1-2H3
InChIKeyHAIAYXYVNYPBMQ-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

2-butyl-5-pentadecylphenol
CID 175271686
4-tricosylbenzene-1,3-diol
CID 101133990
2-butyl-5-(2-methylbutan-2-yl)phenol
CID 150152087
5-amino-2-nonylphenol
CID 152595596
5-chloro-2-dodecylphenol
CID 102279992
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
(4-butyl-3-hydroxyphenyl) propanoate
CID 175351679
5-ethoxy-2-hexylphenol
CID 3021981
3-hydroxy-4-undecylbenzoic acid
CID 101311225
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-[3-fluoro-4-(3-heptyl-4-hydroxyphenyl)phenyl]-2-heptylphenol
CID 135247842
5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 139628527

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol?
The IUPAC name of 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol (CID 22954449) is 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol.
What is the SMILES notation for 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol?
The canonical SMILES for 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol is CCCCc1ccc(-c2ccc(CCCC)c(O)c2)cc1O.
What is the InChIKey of 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol?
The InChIKey is HAIAYXYVNYPBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-5-7-15-9-11-17(13-19(15)21)18-12-10-16(8-6-4-2)20(22)14-18/h9-14,21-22H,3-8H2,1-2H3.
What are the key properties of 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol?
2-butyl-5-(4-butyl-3-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 2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol is sourced from PubChem (CID 22954449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).