(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol

C12H17FO2 — CID 71163703

IUPAC(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
SMILESCCC[C@H](O)Cc1cccc(OCF)c1
InChIInChI=1S/C12H17FO2/c1-2-4-11(14)7-10-5-3-6-12(8-10)15-9-13/h3,5-6,8,11,14H,2,4,7,9H2,1H3/t11-/m0/s1
InChIKeyJKVHYUKHGWEZJK-NSHDSACASA-N
MW212.26 g/mol
LogP2.70
Rot. Bonds6

About (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol

(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol (PubChem CID 71163703) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
PubChem CID71163703
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
SMILESCCC[C@H](O)Cc1cccc(OCF)c1
InChIInChI=1S/C12H17FO2/c1-2-4-11(14)7-10-5-3-6-12(8-10)15-9-13/h3,5-6,8,11,14H,2,4,7,9H2,1H3/t11-/m0/s1
InChIKeyJKVHYUKHGWEZJK-NSHDSACASA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
1-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol;hydrochloride
CID 21280485
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol?
The IUPAC name of (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol (CID 71163703) is (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol.
What is the SMILES notation for (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol?
The canonical SMILES for (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol is CCC[C@H](O)Cc1cccc(OCF)c1.
What is the InChIKey of (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol?
The InChIKey is JKVHYUKHGWEZJK-NSHDSACASA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-4-11(14)7-10-5-3-6-12(8-10)15-9-13/h3,5-6,8,11,14H,2,4,7,9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol?
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol is sourced from PubChem (CID 71163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).