3-[(4R)-4-cyclobutylpentan-2-yl]phenol

C15H22O — CID 142796254

IUPAC3-[(4R)-4-cyclobutylpentan-2-yl]phenol
SMILESCC(C[C@@H](C)C1CCC1)c1cccc(O)c1
InChIInChI=1S/C15H22O/c1-11(13-5-3-6-13)9-12(2)14-7-4-8-15(16)10-14/h4,7-8,10-13,16H,3,5-6,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyOGDFEXLSPGKUEY-JHJMLUEUSA-N
MW218.34 g/mol
LogP4.32
Rot. Bonds4

About 3-[(4R)-4-cyclobutylpentan-2-yl]phenol

3-[(4R)-4-cyclobutylpentan-2-yl]phenol (PubChem CID 142796254) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(4R)-4-cyclobutylpentan-2-yl]phenol.

Molecular Properties

Compound Name3-[(4R)-4-cyclobutylpentan-2-yl]phenol
PubChem CID142796254
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-[(4R)-4-cyclobutylpentan-2-yl]phenol
SMILESCC(C[C@@H](C)C1CCC1)c1cccc(O)c1
InChIInChI=1S/C15H22O/c1-11(13-5-3-6-13)9-12(2)14-7-4-8-15(16)10-14/h4,7-8,10-13,16H,3,5-6,9H2,1-2H3/t11-,12?/m1/s1
InChIKeyOGDFEXLSPGKUEY-JHJMLUEUSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[1-(thian-3-yl)ethyl]phenol
CID 115033656
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
3-(1-isocyanopropan-2-yl)phenol
CID 105431642
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
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CID 117242834

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-cyclobutylpentan-2-yl]phenol?
The IUPAC name of 3-[(4R)-4-cyclobutylpentan-2-yl]phenol (CID 142796254) is 3-[(4R)-4-cyclobutylpentan-2-yl]phenol.
What is the SMILES notation for 3-[(4R)-4-cyclobutylpentan-2-yl]phenol?
The canonical SMILES for 3-[(4R)-4-cyclobutylpentan-2-yl]phenol is CC(C[C@@H](C)C1CCC1)c1cccc(O)c1.
What is the InChIKey of 3-[(4R)-4-cyclobutylpentan-2-yl]phenol?
The InChIKey is OGDFEXLSPGKUEY-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H22O/c1-11(13-5-3-6-13)9-12(2)14-7-4-8-15(16)10-14/h4,7-8,10-13,16H,3,5-6,9H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of 3-[(4R)-4-cyclobutylpentan-2-yl]phenol?
3-[(4R)-4-cyclobutylpentan-2-yl]phenol has a molecular weight of 218.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-cyclobutylpentan-2-yl]phenol is sourced from PubChem (CID 142796254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).