3-butan-2-yl-5-methoxy-2-methylphenol

C12H18O2 — CID 130033811

IUPAC3-butan-2-yl-5-methoxy-2-methylphenol
SMILESCCC(C)c1cc(OC)cc(O)c1C
InChIInChI=1S/C12H18O2/c1-5-8(2)11-6-10(14-4)7-12(13)9(11)3/h6-8,13H,5H2,1-4H3
InChIKeyYELYOPYXTXKRGF-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds3

About 3-butan-2-yl-5-methoxy-2-methylphenol

3-butan-2-yl-5-methoxy-2-methylphenol (PubChem CID 130033811) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-butan-2-yl-5-methoxy-2-methylphenol.

Molecular Properties

Compound Name3-butan-2-yl-5-methoxy-2-methylphenol
PubChem CID130033811
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-butan-2-yl-5-methoxy-2-methylphenol
SMILESCCC(C)c1cc(OC)cc(O)c1C
InChIInChI=1S/C12H18O2/c1-5-8(2)11-6-10(14-4)7-12(13)9(11)3/h6-8,13H,5H2,1-4H3
InChIKeyYELYOPYXTXKRGF-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4-methoxy-6-methylbenzoic acid
CID 129157723
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
CID 21466417
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
4-butan-2-yl-3-methylphenol
CID 21413615
2-[1-(3-methoxy-5-methylphenyl)propyl]-4-methylphenol
CID 163502977
2-[(1R)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 131167038
2-[(1S)-1-aminopropyl]-6-bromo-4-methoxyphenol
CID 130699655

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-methoxy-2-methylphenol?
The IUPAC name of 3-butan-2-yl-5-methoxy-2-methylphenol (CID 130033811) is 3-butan-2-yl-5-methoxy-2-methylphenol.
What is the SMILES notation for 3-butan-2-yl-5-methoxy-2-methylphenol?
The canonical SMILES for 3-butan-2-yl-5-methoxy-2-methylphenol is CCC(C)c1cc(OC)cc(O)c1C.
What is the InChIKey of 3-butan-2-yl-5-methoxy-2-methylphenol?
The InChIKey is YELYOPYXTXKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-8(2)11-6-10(14-4)7-12(13)9(11)3/h6-8,13H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-methoxy-2-methylphenol?
3-butan-2-yl-5-methoxy-2-methylphenol has a molecular weight of 194.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-methoxy-2-methylphenol is sourced from PubChem (CID 130033811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).