(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol

C15H15FO2 — CID 114059293

IUPAC(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol
SMILESCc1ccccc1Oc1c(F)cccc1[C@H](C)O
InChIInChI=1S/C15H15FO2/c1-10-6-3-4-9-14(10)18-15-12(11(2)17)7-5-8-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeySIAVMIXWEGAVIC-NSHDSACASA-N
MW246.28 g/mol
LogP3.98
Rot. Bonds3

About (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol

(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol (PubChem CID 114059293) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol
PubChem CID114059293
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol
SMILESCc1ccccc1Oc1c(F)cccc1[C@H](C)O
InChIInChI=1S/C15H15FO2/c1-10-6-3-4-9-14(10)18-15-12(11(2)17)7-5-8-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeySIAVMIXWEGAVIC-NSHDSACASA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1R)-1-(3-fluoro-2-pyridin-3-yloxyphenyl)ethanol
CID 114059302
(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 114059300
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
2-(2-fluorophenoxy)-6-methylphenol
CID 20513456

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol (CID 114059293) is (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol is Cc1ccccc1Oc1c(F)cccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol?
The InChIKey is SIAVMIXWEGAVIC-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FO2/c1-10-6-3-4-9-14(10)18-15-12(11(2)17)7-5-8-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol?
(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 114059293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).