1-cyclobutyl-2-(4-ethylphenyl)ethanol

C14H20O — CID 64986891

IUPAC1-cyclobutyl-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2CCC2)cc1
InChIInChI=1S/C14H20O/c1-2-11-6-8-12(9-7-11)10-14(15)13-4-3-5-13/h6-9,13-15H,2-5,10H2,1H3
InChIKeyFPUHWRKTHFJHBP-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclobutyl-2-(4-ethylphenyl)ethanol

1-cyclobutyl-2-(4-ethylphenyl)ethanol (PubChem CID 64986891) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(4-ethylphenyl)ethanol
PubChem CID64986891
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-cyclobutyl-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2CCC2)cc1
InChIInChI=1S/C14H20O/c1-2-11-6-8-12(9-7-11)10-14(15)13-4-3-5-13/h6-9,13-15H,2-5,10H2,1H3
InChIKeyFPUHWRKTHFJHBP-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(4-ethylphenyl)ethanol (CID 64986891) is 1-cyclobutyl-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
The InChIKey is FPUHWRKTHFJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-11-6-8-12(9-7-11)10-14(15)13-4-3-5-13/h6-9,13-15H,2-5,10H2,1H3.
What are the key properties of 1-cyclobutyl-2-(4-ethylphenyl)ethanol?
1-cyclobutyl-2-(4-ethylphenyl)ethanol has a molecular weight of 204.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 64986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).