2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol

C20H26O3 — CID 171777158

IUPAC2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
SMILESCCCCc1cccc(Oc2cccc(CCCC)c2O)c1O
InChIInChI=1S/C20H26O3/c1-3-5-9-15-11-7-13-17(19(15)21)23-18-14-8-12-16(20(18)22)10-6-4-2/h7-8,11-14,21-22H,3-6,9-10H2,1-2H3
InChIKeyFKOYVXSCWSAOIQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.58
Rot. Bonds8

About 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol

2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol (PubChem CID 171777158) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
PubChem CID171777158
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
SMILESCCCCc1cccc(Oc2cccc(CCCC)c2O)c1O
InChIInChI=1S/C20H26O3/c1-3-5-9-15-11-7-13-17(19(15)21)23-18-14-8-12-16(20(18)22)10-6-4-2/h7-8,11-14,21-22H,3-6,9-10H2,1-2H3
InChIKeyFKOYVXSCWSAOIQ-UHFFFAOYSA-N
XLogP5.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butyl-2-hydroxyphenyl) hydrogen carbonate
CID 69349391
2-heptadecyl-6-methoxyphenol
CID 10713705
2-ethoxy-6-heptadecylphenol
CID 10499794
2-(3-decyl-2-hydroxyphenoxy)benzenesulfonic acid
CID 101295102
2-butyl-6-methoxyphenol;4-methoxyphenol
CID 174399923
2-(aminomethyl)-6-butylphenol
CID 142528852
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
2-methyl-6-undecylphenol
CID 174998801
ethane;2-methoxy-6-propylphenol
CID 142869062
3-(3-hexyl-2-hydroxyphenoxy)benzenesulfonic acid
CID 101291492
3-(3-dodecyl-2-hydroxyphenoxy)benzenesulfonic acid
CID 101296064
3-(3-decyl-2-hydroxyphenoxy)benzenesulfonic acid
CID 101295104

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol?
The IUPAC name of 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol (CID 171777158) is 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol.
What is the SMILES notation for 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol?
The canonical SMILES for 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol is CCCCc1cccc(Oc2cccc(CCCC)c2O)c1O.
What is the InChIKey of 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol?
The InChIKey is FKOYVXSCWSAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-5-9-15-11-7-13-17(19(15)21)23-18-14-8-12-16(20(18)22)10-6-4-2/h7-8,11-14,21-22H,3-6,9-10H2,1-2H3.
What are the key properties of 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol?
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol has a molecular weight of 314.43 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol is sourced from PubChem (CID 171777158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).