2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane

C17H28O — CID 144742888

IUPAC2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
SMILESCC.CC(C)c1cccc([C@H](C)C2CCC2)c1O
InChIInChI=1S/C15H22O.C2H6/c1-10(2)13-8-5-9-14(15(13)16)11(3)12-6-4-7-12;1-2/h5,8-12,16H,4,6-7H2,1-3H3;1-2H3/t11-;/m1./s1
InChIKeyMQYMOSLHLPCGLX-RFVHGSKJSA-N
MW248.41 g/mol
LogP5.45
Rot. Bonds3

About 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane

2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane (PubChem CID 144742888) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane.

Molecular Properties

Compound Name2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
PubChem CID144742888
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
SMILESCC.CC(C)c1cccc([C@H](C)C2CCC2)c1O
InChIInChI=1S/C15H22O.C2H6/c1-10(2)13-8-5-9-14(15(13)16)11(3)12-6-4-7-12;1-2/h5,8-12,16H,4,6-7H2,1-3H3;1-2H3/t11-;/m1./s1
InChIKeyMQYMOSLHLPCGLX-RFVHGSKJSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.45
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-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852
2,6-di(propan-2-yl)phenol;silver
CID 174803720
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
CID 118899009
1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
CID 118951939
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
CID 130324899
4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
CID 145399586

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane?
The IUPAC name of 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane (CID 144742888) is 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane.
What is the SMILES notation for 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane?
The canonical SMILES for 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane is CC.CC(C)c1cccc([C@H](C)C2CCC2)c1O.
What is the InChIKey of 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane?
The InChIKey is MQYMOSLHLPCGLX-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-10(2)13-8-5-9-14(15(13)16)11(3)12-6-4-7-12;1-2/h5,8-12,16H,4,6-7H2,1-3H3;1-2H3/t11-;/m1./s1.
What are the key properties of 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane?
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane has a molecular weight of 248.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane is sourced from PubChem (CID 144742888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).