2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane

C17H28O — CID 144742837

IUPAC2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
SMILESCC.CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1O
InChIInChI=1S/C15H22O.C2H6/c1-4-10(2)13-6-5-7-14(15(13)16)11(3)12-8-9-12;1-2/h5-7,10-12,16H,4,8-9H2,1-3H3;1-2H3/t10-,11-;/m1./s1
InChIKeyMJUHEXWXBDSSNY-NDXYWBNTSA-N
MW248.41 g/mol
LogP5.45
Rot. Bonds4

About 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane

2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane (PubChem CID 144742837) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
PubChem CID144742837
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
SMILESCC.CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1O
InChIInChI=1S/C15H22O.C2H6/c1-4-10(2)13-6-5-7-14(15(13)16)11(3)12-8-9-12;1-2/h5-7,10-12,16H,4,8-9H2,1-3H3;1-2H3/t10-,11-;/m1./s1
InChIKeyMJUHEXWXBDSSNY-NDXYWBNTSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
CID 144742858
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
CID 118899009
2-butan-2-yl-6-iodophenol
CID 11242844
2-amino-6-butan-2-ylphenol
CID 14993637
2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
CID 122442091
2-[1-(thian-4-yl)ethyl]phenol
CID 115033657
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane?
The IUPAC name of 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane (CID 144742837) is 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane?
The canonical SMILES for 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane is CC.CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1O.
What is the InChIKey of 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane?
The InChIKey is MJUHEXWXBDSSNY-NDXYWBNTSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-4-10(2)13-6-5-7-14(15(13)16)11(3)12-8-9-12;1-2/h5-7,10-12,16H,4,8-9H2,1-3H3;1-2H3/t10-,11-;/m1./s1.
What are the key properties of 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane?
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane has a molecular weight of 248.41 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane is sourced from PubChem (CID 144742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).