1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol

C15H22O2 — CID 113449276

IUPAC1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
SMILESCc1cc(C)cc(OCC(O)C2CCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-7-12(2)9-14(8-11)17-10-15(16)13-5-3-4-6-13/h7-9,13,15-16H,3-6,10H2,1-2H3
InChIKeyXBSDFOWMMKGVFE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.23
Rot. Bonds4

About 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol

1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol (PubChem CID 113449276) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
PubChem CID113449276
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
SMILESCc1cc(C)cc(OCC(O)C2CCCC2)c1
InChIInChI=1S/C15H22O2/c1-11-7-12(2)9-14(8-11)17-10-15(16)13-5-3-4-6-13/h7-9,13,15-16H,3-6,10H2,1-2H3
InChIKeyXBSDFOWMMKGVFE-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
(2R)-1-(3,5-dimethylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7120901
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol?
The IUPAC name of 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol (CID 113449276) is 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol is Cc1cc(C)cc(OCC(O)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol?
The InChIKey is XBSDFOWMMKGVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-7-12(2)9-14(8-11)17-10-15(16)13-5-3-4-6-13/h7-9,13,15-16H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol?
1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol has a molecular weight of 234.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol is sourced from PubChem (CID 113449276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).