2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol

C15H21FO2 — CID 103170158

IUPAC2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
SMILESCCOC1CC(CC(O)c2cc(C)cc(F)c2)C1
InChIInChI=1S/C15H21FO2/c1-3-18-14-6-11(7-14)8-15(17)12-4-10(2)5-13(16)9-12/h4-5,9,11,14-15,17H,3,6-8H2,1-2H3
InChIKeyABEMLDLBSOYUST-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.37
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol

2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol (PubChem CID 103170158) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
PubChem CID103170158
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
SMILESCCOC1CC(CC(O)c2cc(C)cc(F)c2)C1
InChIInChI=1S/C15H21FO2/c1-3-18-14-6-11(7-14)8-15(17)12-4-10(2)5-13(16)9-12/h4-5,9,11,14-15,17H,3,6-8H2,1-2H3
InChIKeyABEMLDLBSOYUST-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 103170402
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
CID 103167221
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol (CID 103170158) is 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol is CCOC1CC(CC(O)c2cc(C)cc(F)c2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol?
The InChIKey is ABEMLDLBSOYUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-18-14-6-11(7-14)8-15(17)12-4-10(2)5-13(16)9-12/h4-5,9,11,14-15,17H,3,6-8H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol?
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol has a molecular weight of 252.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 103170158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).