1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol

C19H21FO — CID 114601488

IUPAC1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2C2CCC2)cc1F
InChIInChI=1S/C19H21FO/c1-13-10-11-15(12-18(13)20)19(2,21)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-12,14,21H,5-7H2,1-2H3
InChIKeyCALBBKUMMZQLNP-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.66
Rot. Bonds3

About 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol

1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 114601488) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID114601488
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2C2CCC2)cc1F
InChIInChI=1S/C19H21FO/c1-13-10-11-15(12-18(13)20)19(2,21)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-12,14,21H,5-7H2,1-2H3
InChIKeyCALBBKUMMZQLNP-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol (CID 114601488) is 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol is Cc1ccc(C(C)(O)c2ccccc2C2CCC2)cc1F.
What is the InChIKey of 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is CALBBKUMMZQLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO/c1-13-10-11-15(12-18(13)20)19(2,21)17-9-4-3-8-16(17)14-6-5-7-14/h3-4,8-12,14,21H,5-7H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol?
1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 284.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-1-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 114601488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).