3-(2-cyclopentyl-2-hydroxyethoxy)phenol

C13H18O3 — CID 117245767

IUPAC3-(2-cyclopentyl-2-hydroxyethoxy)phenol
SMILESOc1cccc(OCC(O)C2CCCC2)c1
InChIInChI=1S/C13H18O3/c14-11-6-3-7-12(8-11)16-9-13(15)10-4-1-2-5-10/h3,6-8,10,13-15H,1-2,4-5,9H2
InChIKeyQQZSLFFUUAVCJO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-cyclopentyl-2-hydroxyethoxy)phenol

3-(2-cyclopentyl-2-hydroxyethoxy)phenol (PubChem CID 117245767) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(2-cyclopentyl-2-hydroxyethoxy)phenol.

Molecular Properties

Compound Name3-(2-cyclopentyl-2-hydroxyethoxy)phenol
PubChem CID117245767
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(2-cyclopentyl-2-hydroxyethoxy)phenol
SMILESOc1cccc(OCC(O)C2CCCC2)c1
InChIInChI=1S/C13H18O3/c14-11-6-3-7-12(8-11)16-9-13(15)10-4-1-2-5-10/h3,6-8,10,13-15H,1-2,4-5,9H2
InChIKeyQQZSLFFUUAVCJO-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol
CID 88642559
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
CID 113449276
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-2-hydroxyethoxy)phenol?
The IUPAC name of 3-(2-cyclopentyl-2-hydroxyethoxy)phenol (CID 117245767) is 3-(2-cyclopentyl-2-hydroxyethoxy)phenol.
What is the SMILES notation for 3-(2-cyclopentyl-2-hydroxyethoxy)phenol?
The canonical SMILES for 3-(2-cyclopentyl-2-hydroxyethoxy)phenol is Oc1cccc(OCC(O)C2CCCC2)c1.
What is the InChIKey of 3-(2-cyclopentyl-2-hydroxyethoxy)phenol?
The InChIKey is QQZSLFFUUAVCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-11-6-3-7-12(8-11)16-9-13(15)10-4-1-2-5-10/h3,6-8,10,13-15H,1-2,4-5,9H2.
What are the key properties of 3-(2-cyclopentyl-2-hydroxyethoxy)phenol?
3-(2-cyclopentyl-2-hydroxyethoxy)phenol has a molecular weight of 222.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-2-hydroxyethoxy)phenol is sourced from PubChem (CID 117245767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).