1-cyclobutyl-2-(3-methylphenoxy)ethanol

C13H18O2 — CID 117245576

IUPAC1-cyclobutyl-2-(3-methylphenoxy)ethanol
SMILESCc1cccc(OCC(O)C2CCC2)c1
InChIInChI=1S/C13H18O2/c1-10-4-2-7-12(8-10)15-9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3
InChIKeyWBWCJNOPQHMOKZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds4

About 1-cyclobutyl-2-(3-methylphenoxy)ethanol

1-cyclobutyl-2-(3-methylphenoxy)ethanol (PubChem CID 117245576) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-methylphenoxy)ethanol
PubChem CID117245576
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-cyclobutyl-2-(3-methylphenoxy)ethanol
SMILESCc1cccc(OCC(O)C2CCC2)c1
InChIInChI=1S/C13H18O2/c1-10-4-2-7-12(8-10)15-9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3
InChIKeyWBWCJNOPQHMOKZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
CID 113449276
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
1-(3-methylphenoxy)butan-2-ol
CID 13089920
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-methylphenoxy)ethanol?
The IUPAC name of 1-cyclobutyl-2-(3-methylphenoxy)ethanol (CID 117245576) is 1-cyclobutyl-2-(3-methylphenoxy)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(3-methylphenoxy)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(3-methylphenoxy)ethanol is Cc1cccc(OCC(O)C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-2-(3-methylphenoxy)ethanol?
The InChIKey is WBWCJNOPQHMOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-4-2-7-12(8-10)15-9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3.
What are the key properties of 1-cyclobutyl-2-(3-methylphenoxy)ethanol?
1-cyclobutyl-2-(3-methylphenoxy)ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-methylphenoxy)ethanol is sourced from PubChem (CID 117245576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).