2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol

C16H24O — CID 144742852

IUPAC2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
SMILESCCC(CC)c1cccc([C@@H](C)C2CC2)c1O
InChIInChI=1S/C16H24O/c1-4-12(5-2)15-8-6-7-14(16(15)17)11(3)13-9-10-13/h6-8,11-13,17H,4-5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyYAWUYAXTQVRITO-NSHDSACASA-N
MW232.37 g/mol
LogP4.81
Rot. Bonds5

About 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol

2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol (PubChem CID 144742852) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
PubChem CID144742852
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
SMILESCCC(CC)c1cccc([C@@H](C)C2CC2)c1O
InChIInChI=1S/C16H24O/c1-4-12(5-2)15-8-6-7-14(16(15)17)11(3)13-9-10-13/h6-8,11-13,17H,4-5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyYAWUYAXTQVRITO-NSHDSACASA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.81
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-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
CID 118899009
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
CID 122442091
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
CID 144742858
2-[1-(thian-4-yl)ethyl]phenol
CID 115033657
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
CID 130323975
4-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
CID 145399586
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
CID 130324899
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol (CID 144742852) is 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol is CCC(CC)c1cccc([C@@H](C)C2CC2)c1O.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol?
The InChIKey is YAWUYAXTQVRITO-NSHDSACASA-N. The full InChI is InChI=1S/C16H24O/c1-4-12(5-2)15-8-6-7-14(16(15)17)11(3)13-9-10-13/h6-8,11-13,17H,4-5,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol?
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol has a molecular weight of 232.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol is sourced from PubChem (CID 144742852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).