1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol

C17H19FO — CID 114872344

IUPAC1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FO/c1-3-13-8-10-14(11-9-13)17(19,4-2)15-6-5-7-16(18)12-15/h5-12,19H,3-4H2,1-2H3
InChIKeyKNCMDMITWJNXKB-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol

1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 114872344) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID114872344
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FO/c1-3-13-8-10-14(11-9-13)17(19,4-2)15-6-5-7-16(18)12-15/h5-12,19H,3-4H2,1-2H3
InChIKeyKNCMDMITWJNXKB-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
CID 59612023
CID 59612023
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
CID 114872383
1-(2-amino-3-pyridinyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872419
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
CID 114872694

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol (CID 114872344) is 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol is CCc1ccc(C(O)(CC)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is KNCMDMITWJNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-3-13-8-10-14(11-9-13)17(19,4-2)15-6-5-7-16(18)12-15/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol?
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114872344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).