1-(4-fluorophenyl)-2-propan-2-yloxyethanol

C11H15FO2 — CID 79567387

IUPAC1-(4-fluorophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2/c1-8(2)14-7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyDCYWQXCDCVCRCB-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.28
Rot. Bonds4

About 1-(4-fluorophenyl)-2-propan-2-yloxyethanol

1-(4-fluorophenyl)-2-propan-2-yloxyethanol (PubChem CID 79567387) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-propan-2-yloxyethanol
PubChem CID79567387
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(4-fluorophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2/c1-8(2)14-7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyDCYWQXCDCVCRCB-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
CID 155023348
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
CID 79567663
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-propan-2-yloxyethanol (CID 79567387) is 1-(4-fluorophenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-propan-2-yloxyethanol?
The InChIKey is DCYWQXCDCVCRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8(2)14-7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-propan-2-yloxyethanol?
1-(4-fluorophenyl)-2-propan-2-yloxyethanol has a molecular weight of 198.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79567387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).