2-butan-2-yl-6-cyclopropylphenol

C13H18O — CID 3058303

IUPAC2-butan-2-yl-6-cyclopropylphenol
SMILESCCC(C)c1cccc(C2CC2)c1O
InChIInChI=1S/C13H18O/c1-3-9(2)11-5-4-6-12(13(11)14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyAHDFGPJVGBBWNZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.78
Rot. Bonds3

About 2-butan-2-yl-6-cyclopropylphenol

2-butan-2-yl-6-cyclopropylphenol (PubChem CID 3058303) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-butan-2-yl-6-cyclopropylphenol.

Molecular Properties

Compound Name2-butan-2-yl-6-cyclopropylphenol
PubChem CID3058303
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-butan-2-yl-6-cyclopropylphenol
SMILESCCC(C)c1cccc(C2CC2)c1O
InChIInChI=1S/C13H18O/c1-3-9(2)11-5-4-6-12(13(11)14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyAHDFGPJVGBBWNZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2-amino-6-butan-2-ylphenol
CID 14993637
2-butan-2-yl-6-iodophenol
CID 11242844
1-(2,3-dicyclopropylphenyl)propan-1-ol
CID 174783107
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
CID 66514859
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
2,3,6-tri(butan-2-yl)phenol
CID 101292764
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-cyclopropylphenol?
The IUPAC name of 2-butan-2-yl-6-cyclopropylphenol (CID 3058303) is 2-butan-2-yl-6-cyclopropylphenol.
What is the SMILES notation for 2-butan-2-yl-6-cyclopropylphenol?
The canonical SMILES for 2-butan-2-yl-6-cyclopropylphenol is CCC(C)c1cccc(C2CC2)c1O.
What is the InChIKey of 2-butan-2-yl-6-cyclopropylphenol?
The InChIKey is AHDFGPJVGBBWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-9(2)11-5-4-6-12(13(11)14)10-7-8-10/h4-6,9-10,14H,3,7-8H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-cyclopropylphenol?
2-butan-2-yl-6-cyclopropylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-cyclopropylphenol is sourced from PubChem (CID 3058303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).