(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol

C11H15FO — CID 171600588

IUPAC(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FO/c1-7(2)10-5-4-9(8(3)13)6-11(10)12/h4-8,13H,1-3H3/t8-/m0/s1
InChIKeyOHKHKBGYMRXJGH-QMMMGPOBSA-N
MW182.24 g/mol
LogP3.00
Rot. Bonds2

About (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol

(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol (PubChem CID 171600588) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
PubChem CID171600588
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C11H15FO/c1-7(2)10-5-4-9(8(3)13)6-11(10)12/h4-8,13H,1-3H3/t8-/m0/s1
InChIKeyOHKHKBGYMRXJGH-QMMMGPOBSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
CID 167631369
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol?
The IUPAC name of (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol (CID 171600588) is (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol is CC(C)c1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol?
The InChIKey is OHKHKBGYMRXJGH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FO/c1-7(2)10-5-4-9(8(3)13)6-11(10)12/h4-8,13H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol?
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol has a molecular weight of 182.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 171600588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).