2-(5-butyl-2-hydroxyphenyl)-4-methylphenol

C17H20O2 — CID 58663399

IUPAC2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
SMILESCCCCc1ccc(O)c(-c2cc(C)ccc2O)c1
InChIInChI=1S/C17H20O2/c1-3-4-5-13-7-9-17(19)15(11-13)14-10-12(2)6-8-16(14)18/h6-11,18-19H,3-5H2,1-2H3
InChIKeyJOTBYQKHOQTCFP-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.42
Rot. Bonds4

About 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol

2-(5-butyl-2-hydroxyphenyl)-4-methylphenol (PubChem CID 58663399) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol.

Molecular Properties

Compound Name2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
PubChem CID58663399
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
SMILESCCCCc1ccc(O)c(-c2cc(C)ccc2O)c1
InChIInChI=1S/C17H20O2/c1-3-4-5-13-7-9-17(19)15(11-13)14-10-12(2)6-8-16(14)18/h6-11,18-19H,3-5H2,1-2H3
InChIKeyJOTBYQKHOQTCFP-UHFFFAOYSA-N
XLogP4.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
4-butyl-2-methylphenol
CID 10964856
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-butyl-2-(3,5-ditert-butylphenyl)phenol
CID 141194597
4-pentyl-2-phenylphenol
CID 154147556
4-butylbenzene-1,2-diol;phenol
CID 170169190
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
2-methyl-4-octadecylphenol
CID 3022311
1-butyl-4-methylbenzene;phenol
CID 174834955
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756

Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol?
The IUPAC name of 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol (CID 58663399) is 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol.
What is the SMILES notation for 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol?
The canonical SMILES for 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol is CCCCc1ccc(O)c(-c2cc(C)ccc2O)c1.
What is the InChIKey of 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol?
The InChIKey is JOTBYQKHOQTCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-4-5-13-7-9-17(19)15(11-13)14-10-12(2)6-8-16(14)18/h6-11,18-19H,3-5H2,1-2H3.
What are the key properties of 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol?
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol has a molecular weight of 256.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-2-hydroxyphenyl)-4-methylphenol is sourced from PubChem (CID 58663399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).